N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide

C33H33Cl2N7O3 — CID 170735303

IUPACN-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide
SMILESCOc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCNC5)c3Cl)c2Cl)ccc1CN1CC2(CNC(=O)C2)C1
InChIInChI=1S/C33H33Cl2N7O3/c1-41-25-9-10-36-14-24(25)39-31(41)32(44)40-23-5-3-4-21(28(23)34)22-8-11-37-30(29(22)35)19-6-7-20(26(12-19)45-2)15-42-17-33(18-42)13-27(43)38-16-33/h3-8,11-12,36H,9-10,13-18H2,1-2H3,(H,38,43)(H,40,44)
InChIKeyKGFDKEDQDXWSCY-UHFFFAOYSA-N
MW646.58 g/mol
LogP4.68
Rot. Bonds7

About N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170735303) has the molecular formula C33H33Cl2N7O3 and a molecular weight of 646.58 g/mol. Its IUPAC name is N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide
PubChem CID170735303
Molecular FormulaC33H33Cl2N7O3
Molecular Weight646.58 g/mol
Exact Mass645.20
IUPAC NameN-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide
SMILESCOc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCNC5)c3Cl)c2Cl)ccc1CN1CC2(CNC(=O)C2)C1
InChIInChI=1S/C33H33Cl2N7O3/c1-41-25-9-10-36-14-24(25)39-31(41)32(44)40-23-5-3-4-21(28(23)34)22-8-11-37-30(29(22)35)19-6-7-20(26(12-19)45-2)15-42-17-33(18-42)13-27(43)38-16-33/h3-8,11-12,36H,9-10,13-18H2,1-2H3,(H,38,43)(H,40,44)
InChIKeyKGFDKEDQDXWSCY-UHFFFAOYSA-N
XLogP4.68
TPSA113.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.58
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide (CID 170735303) is N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide is COc1cc(-c2nccc(-c3cccc(NC(=O)c4nc5c(n4C)CCNC5)c3Cl)c2Cl)ccc1CN1CC2(CNC(=O)C2)C1.
What is the InChIKey of N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is KGFDKEDQDXWSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33Cl2N7O3/c1-41-25-9-10-36-14-24(25)39-31(41)32(44)40-23-5-3-4-21(28(23)34)22-8-11-37-30(29(22)35)19-6-7-20(26(12-19)45-2)15-42-17-33(18-42)13-27(43)38-16-33/h3-8,11-12,36H,9-10,13-18H2,1-2H3,(H,38,43)(H,40,44).
What are the key properties of N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide?
N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 646.58 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[3-chloro-2-[3-methoxy-4-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]phenyl]-4-pyridinyl]phenyl]-1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170735303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).