(3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane)

C195H178F14N22O5Si2 — CID 162085966

IUPAC(3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane)
SMILESCC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.Fc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(F)c1.Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.Nc1ccc(F)cc1F.O=C(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=C(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F.OC(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.c1cncc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C33H26F2N4O.2C33H24F2N4O.C21H17F2NO.C20H17F2N.C19H12F2N4O.C12H9N3.2C9H22Si.C6H5F2N/c3*34-28-13-14-29(39(20-22-8-3-1-4-9-22)21-23-10-5-2-6-11-23)31(35)30(28)32(40)27-19-38-33-26(27)16-25(18-37-33)24-12-7-15-36-17-24;22-19-11-12-20(21(23)18(19)15-25)24(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17;21-18-11-12-20(19(22)13-18)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17;20-14-3-4-15(22)17(21)16(14)18(26)13-9-25-19-12(13)6-11(8-24-19)10-2-1-5-23-7-10;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;2*1-7(2)10(8(3)4)9(5)6;7-4-1-2-6(9)5(8)3-4/h1-19,32,40H,20-21H2,(H,37,38);2*1-19H,20-21H2,(H,37,38);1-12,15H,13-14H2;1-13H,14-15H2;1-9H,22H2,(H,24,25);1-8H,(H,14,15);2*7-10H,1-6H3;1-3H,9H2
InChIKeyZCYOYVPBHXEFMY-UHFFFAOYSA-N
MW3231.86 g/mol
LogP46.80
Rot. Bonds45

About (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane)

(3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane) (PubChem CID 162085966) has the molecular formula C195H178F14N22O5Si2 and a molecular weight of 3231.86 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane).

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane)
PubChem CID162085966
Molecular FormulaC195H178F14N22O5Si2
Molecular Weight3231.86 g/mol
Exact Mass3229.37
IUPAC Name(3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane)
SMILESCC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.Fc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(F)c1.Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.Nc1ccc(F)cc1F.O=C(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=C(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F.OC(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.c1cncc(-c2cnc3[nH]ccc3c2)c1
InChIInChI=1S/C33H26F2N4O.2C33H24F2N4O.C21H17F2NO.C20H17F2N.C19H12F2N4O.C12H9N3.2C9H22Si.C6H5F2N/c3*34-28-13-14-29(39(20-22-8-3-1-4-9-22)21-23-10-5-2-6-11-23)31(35)30(28)32(40)27-19-38-33-26(27)16-25(18-37-33)24-12-7-15-36-17-24;22-19-11-12-20(21(23)18(19)15-25)24(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17;21-18-11-12-20(19(22)13-18)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17;20-14-3-4-15(22)17(21)16(14)18(26)13-9-25-19-12(13)6-11(8-24-19)10-2-1-5-23-7-10;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;2*1-7(2)10(8(3)4)9(5)6;7-4-1-2-6(9)5(8)3-4/h1-19,32,40H,20-21H2,(H,37,38);2*1-19H,20-21H2,(H,37,38);1-12,15H,13-14H2;1-13H,14-15H2;1-9H,22H2,(H,24,25);1-8H,(H,14,15);2*7-10H,1-6H3;1-3H,9H2
InChIKeyZCYOYVPBHXEFMY-UHFFFAOYSA-N
XLogP46.80
TPSA364.60 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds45
Heavy Atoms238
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003231.86
LogP ≤ 546.80
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane)?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane) (CID 162085966) is (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane).
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane)?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane) is CC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.Fc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(F)c1.Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.Nc1ccc(F)cc1F.O=C(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=C(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F.OC(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.c1cncc(-c2cnc3[nH]ccc3c2)c1.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane)?
The InChIKey is ZCYOYVPBHXEFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F2N4O.2C33H24F2N4O.C21H17F2NO.C20H17F2N.C19H12F2N4O.C12H9N3.2C9H22Si.C6H5F2N/c3*34-28-13-14-29(39(20-22-8-3-1-4-9-22)21-23-10-5-2-6-11-23)31(35)30(28)32(40)27-19-38-33-26(27)16-25(18-37-33)24-12-7-15-36-17-24;22-19-11-12-20(21(23)18(19)15-25)24(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17;21-18-11-12-20(19(22)13-18)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17;20-14-3-4-15(22)17(21)16(14)18(26)13-9-25-19-12(13)6-11(8-24-19)10-2-1-5-23-7-10;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;2*1-7(2)10(8(3)4)9(5)6;7-4-1-2-6(9)5(8)3-4/h1-19,32,40H,20-21H2,(H,37,38);2*1-19H,20-21H2,(H,37,38);1-12,15H,13-14H2;1-13H,14-15H2;1-9H,22H2,(H,24,25);1-8H,(H,14,15);2*7-10H,1-6H3;1-3H,9H2.
What are the key properties of (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane)?
(3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane) has a molecular weight of 3231.86 g/mol, XLogP of 46.80, 45 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane) is sourced from PubChem (CID 162085966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).