2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine

C45H39F2N9OS — CID 146599766

IUPAC2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine
SMILESCC(C)c1csc2c1N(CCc1c[nH]c3ccccc13)C(c1cncc(F)c1)N=C2.Fc1cncc(-c2nc(NCCc3c[nH]c4ccccc34)c3occc3n2)c1
InChIInChI=1S/C24H23FN4S.C21H16FN5O/c1-15(2)20-14-30-22-13-28-24(17-9-18(25)12-26-10-17)29(23(20)22)8-7-16-11-27-21-6-4-3-5-19(16)21;22-15-9-14(10-23-12-15)20-26-18-6-8-28-19(18)21(27-20)24-7-5-13-11-25-17-4-2-1-3-16(13)17/h3-6,9-15,24,27H,7-8H2,1-2H3;1-4,6,8-12,25H,5,7H2,(H,24,26,27)
InChIKeyMHSPVSSBKYFNTH-UHFFFAOYSA-N
MW791.93 g/mol
LogP10.63
Rot. Bonds10

About 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine

2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine (PubChem CID 146599766) has the molecular formula C45H39F2N9OS and a molecular weight of 791.93 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine
PubChem CID146599766
Molecular FormulaC45H39F2N9OS
Molecular Weight791.93 g/mol
Exact Mass791.30
IUPAC Name2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine
SMILESCC(C)c1csc2c1N(CCc1c[nH]c3ccccc13)C(c1cncc(F)c1)N=C2.Fc1cncc(-c2nc(NCCc3c[nH]c4ccccc34)c3occc3n2)c1
InChIInChI=1S/C24H23FN4S.C21H16FN5O/c1-15(2)20-14-30-22-13-28-24(17-9-18(25)12-26-10-17)29(23(20)22)8-7-16-11-27-21-6-4-3-5-19(16)21;22-15-9-14(10-23-12-15)20-26-18-6-8-28-19(18)21(27-20)24-7-5-13-11-25-17-4-2-1-3-16(13)17/h3-6,9-15,24,27H,7-8H2,1-2H3;1-4,6,8-12,25H,5,7H2,(H,24,26,27)
InChIKeyMHSPVSSBKYFNTH-UHFFFAOYSA-N
XLogP10.63
TPSA123.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.93
LogP ≤ 510.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine (CID 146599766) is 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine is CC(C)c1csc2c1N(CCc1c[nH]c3ccccc13)C(c1cncc(F)c1)N=C2.Fc1cncc(-c2nc(NCCc3c[nH]c4ccccc34)c3occc3n2)c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine?
The InChIKey is MHSPVSSBKYFNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4S.C21H16FN5O/c1-15(2)20-14-30-22-13-28-24(17-9-18(25)12-26-10-17)29(23(20)22)8-7-16-11-27-21-6-4-3-5-19(16)21;22-15-9-14(10-23-12-15)20-26-18-6-8-28-19(18)21(27-20)24-7-5-13-11-25-17-4-2-1-3-16(13)17/h3-6,9-15,24,27H,7-8H2,1-2H3;1-4,6,8-12,25H,5,7H2,(H,24,26,27).
What are the key properties of 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine?
2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine has a molecular weight of 791.93 g/mol, XLogP of 10.63, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-N-[2-(1H-indol-3-yl)ethyl]furo[3,2-d]pyrimidin-4-amine;2-(5-fluoro-3-pyridinyl)-1-[2-(1H-indol-3-yl)ethyl]-7-propan-2-yl-2H-thieno[3,2-d]pyrimidine is sourced from PubChem (CID 146599766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).