4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

C27H30ClN7O — CID 86567122

IUPAC4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCc1cc(N2C(=O)c3nc(C4CCNCC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn2c(C)nnc12
InChIInChI=1S/C27H30ClN7O/c1-15(2)34-24-22(30-26(34)19-9-11-29-12-10-19)27(36)35(23(24)18-5-7-20(28)8-6-18)21-13-16(3)25-32-31-17(4)33(25)14-21/h5-8,13-15,19,23,29H,9-12H2,1-4H3
InChIKeyLEMUMFMXNFTRTL-UHFFFAOYSA-N
MW504.04 g/mol
LogP4.99
Rot. Bonds4

About 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 86567122) has the molecular formula C27H30ClN7O and a molecular weight of 504.04 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
PubChem CID86567122
Molecular FormulaC27H30ClN7O
Molecular Weight504.04 g/mol
Exact Mass503.22
IUPAC Name4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCc1cc(N2C(=O)c3nc(C4CCNCC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn2c(C)nnc12
InChIInChI=1S/C27H30ClN7O/c1-15(2)34-24-22(30-26(34)19-9-11-29-12-10-19)27(36)35(23(24)18-5-7-20(28)8-6-18)21-13-16(3)25-32-31-17(4)33(25)14-21/h5-8,13-15,19,23,29H,9-12H2,1-4H3
InChIKeyLEMUMFMXNFTRTL-UHFFFAOYSA-N
XLogP4.99
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.04
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 86567122) is 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is Cc1cc(N2C(=O)c3nc(C4CCNCC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn2c(C)nnc12.
What is the InChIKey of 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The InChIKey is LEMUMFMXNFTRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN7O/c1-15(2)34-24-22(30-26(34)19-9-11-29-12-10-19)27(36)35(23(24)18-5-7-20(28)8-6-18)21-13-16(3)25-32-31-17(4)33(25)14-21/h5-8,13-15,19,23,29H,9-12H2,1-4H3.
What are the key properties of 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 504.04 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-piperidin-4-yl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 86567122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).