4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one

C80H82F3N15O4 — CID 159996012

IUPAC4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
SMILESCc1ccc2oc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)nc2c1.O=c1cc(-c2ccc(C(F)(F)F)cn2)ccn1-c1ccc2c(cnn2CCCN2CCCC2)c1.O=c1cc(-c2ccc(N3CCCCC3)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C29H33N5O.C26H25N5O2.C25H24F3N5O/c35-29-21-24(23-6-8-26(9-7-23)32-15-2-1-3-16-32)12-17-33(29)27-10-11-28-25(20-27)22-30-34(28)19-18-31-13-4-5-14-31;1-18-4-7-24-22(14-18)28-26(33-24)19-8-11-30(25(32)16-19)21-5-6-23-20(15-21)17-27-31(23)13-12-29-9-2-3-10-29;26-25(27,28)20-4-6-22(29-17-20)18-8-13-32(24(34)15-18)21-5-7-23-19(14-21)16-30-33(23)12-3-11-31-9-1-2-10-31/h6-12,17,20-22H,1-5,13-16,18-19H2;4-8,11,14-17H,2-3,9-10,12-13H2,1H3;4-8,13-17H,1-3,9-12H2
InChIKeyOHNXESGNBZSRGN-UHFFFAOYSA-N
MW1374.63 g/mol
LogP14.09
Rot. Bonds17

About 4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one

4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (PubChem CID 159996012) has the molecular formula C80H82F3N15O4 and a molecular weight of 1374.63 g/mol. Its IUPAC name is 4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
PubChem CID159996012
Molecular FormulaC80H82F3N15O4
Molecular Weight1374.63 g/mol
Exact Mass1373.66
IUPAC Name4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
SMILESCc1ccc2oc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)nc2c1.O=c1cc(-c2ccc(C(F)(F)F)cn2)ccn1-c1ccc2c(cnn2CCCN2CCCC2)c1.O=c1cc(-c2ccc(N3CCCCC3)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C29H33N5O.C26H25N5O2.C25H24F3N5O/c35-29-21-24(23-6-8-26(9-7-23)32-15-2-1-3-16-32)12-17-33(29)27-10-11-28-25(20-27)22-30-34(28)19-18-31-13-4-5-14-31;1-18-4-7-24-22(14-18)28-26(33-24)19-8-11-30(25(32)16-19)21-5-6-23-20(15-21)17-27-31(23)13-12-29-9-2-3-10-29;26-25(27,28)20-4-6-22(29-17-20)18-8-13-32(24(34)15-18)21-5-7-23-19(14-21)16-30-33(23)12-3-11-31-9-1-2-10-31/h6-12,17,20-22H,1-5,13-16,18-19H2;4-8,11,14-17H,2-3,9-10,12-13H2,1H3;4-8,13-17H,1-3,9-12H2
InChIKeyOHNXESGNBZSRGN-UHFFFAOYSA-N
XLogP14.09
TPSA171.34 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001374.63
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The IUPAC name of 4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (CID 159996012) is 4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.
What is the SMILES notation for 4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The canonical SMILES for 4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is Cc1ccc2oc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)nc2c1.O=c1cc(-c2ccc(C(F)(F)F)cn2)ccn1-c1ccc2c(cnn2CCCN2CCCC2)c1.O=c1cc(-c2ccc(N3CCCCC3)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The InChIKey is OHNXESGNBZSRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O.C26H25N5O2.C25H24F3N5O/c35-29-21-24(23-6-8-26(9-7-23)32-15-2-1-3-16-32)12-17-33(29)27-10-11-28-25(20-27)22-30-34(28)19-18-31-13-4-5-14-31;1-18-4-7-24-22(14-18)28-26(33-24)19-8-11-30(25(32)16-19)21-5-6-23-20(15-21)17-27-31(23)13-12-29-9-2-3-10-29;26-25(27,28)20-4-6-22(29-17-20)18-8-13-32(24(34)15-18)21-5-7-23-19(14-21)16-30-33(23)12-3-11-31-9-1-2-10-31/h6-12,17,20-22H,1-5,13-16,18-19H2;4-8,11,14-17H,2-3,9-10,12-13H2,1H3;4-8,13-17H,1-3,9-12H2.
What are the key properties of 4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one has a molecular weight of 1374.63 g/mol, XLogP of 14.09, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is sourced from PubChem (CID 159996012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).