N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C32H37ClN8O2 — CID 86567052

IUPACN-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(N2C(=O)c3nc(C4=CCN(C(=O)NC(C)(C)C)CC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn2c(C)nnc12
InChIInChI=1S/C32H37ClN8O2/c1-18(2)40-27-25(34-29(40)22-12-14-38(15-13-22)31(43)35-32(5,6)7)30(42)41(26(27)21-8-10-23(33)11-9-21)24-16-19(3)28-37-36-20(4)39(28)17-24/h8-12,16-18,26H,13-15H2,1-7H3,(H,35,43)
InChIKeyRZJAOODRKRAJBF-UHFFFAOYSA-N
MW601.16 g/mol
LogP6.12
Rot. Bonds4

About N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 86567052) has the molecular formula C32H37ClN8O2 and a molecular weight of 601.16 g/mol. Its IUPAC name is N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID86567052
Molecular FormulaC32H37ClN8O2
Molecular Weight601.16 g/mol
Exact Mass600.27
IUPAC NameN-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(N2C(=O)c3nc(C4=CCN(C(=O)NC(C)(C)C)CC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn2c(C)nnc12
InChIInChI=1S/C32H37ClN8O2/c1-18(2)40-27-25(34-29(40)22-12-14-38(15-13-22)31(43)35-32(5,6)7)30(42)41(26(27)21-8-10-23(33)11-9-21)24-16-19(3)28-37-36-20(4)39(28)17-24/h8-12,16-18,26H,13-15H2,1-7H3,(H,35,43)
InChIKeyRZJAOODRKRAJBF-UHFFFAOYSA-N
XLogP6.12
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.16
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 86567052) is N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1cc(N2C(=O)c3nc(C4=CCN(C(=O)NC(C)(C)C)CC4)n(C(C)C)c3C2c2ccc(Cl)cc2)cn2c(C)nnc12.
What is the InChIKey of N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is RZJAOODRKRAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN8O2/c1-18(2)40-27-25(34-29(40)22-12-14-38(15-13-22)31(43)35-32(5,6)7)30(42)41(26(27)21-8-10-23(33)11-9-21)24-16-19(3)28-37-36-20(4)39(28)17-24/h8-12,16-18,26H,13-15H2,1-7H3,(H,35,43).
What are the key properties of N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 601.16 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[4-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 86567052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).