N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide

C28H26N8O3 — CID 164613392

IUPACN-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc[nH]2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C28H26N8O3/c1-17-20(3-2-4-21(17)35-27(37)26-29-9-10-30-26)22-15-23-24(32-16-31-23)25(34-22)33-19-7-5-18(6-8-19)28(38)36-11-13-39-14-12-36/h2-10,15-16H,11-14H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,37)
InChIKeyDRYOVECFLZJHBF-UHFFFAOYSA-N
MW522.57 g/mol
LogP4.12
Rot. Bonds6

About N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide

N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 164613392) has the molecular formula C28H26N8O3 and a molecular weight of 522.57 g/mol. Its IUPAC name is N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID164613392
Molecular FormulaC28H26N8O3
Molecular Weight522.57 g/mol
Exact Mass522.21
IUPAC NameN-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESCc1c(NC(=O)c2ncc[nH]2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1
InChIInChI=1S/C28H26N8O3/c1-17-20(3-2-4-21(17)35-27(37)26-29-9-10-30-26)22-15-23-24(32-16-31-23)25(34-22)33-19-7-5-18(6-8-19)28(38)36-11-13-39-14-12-36/h2-10,15-16H,11-14H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,37)
InChIKeyDRYOVECFLZJHBF-UHFFFAOYSA-N
XLogP4.12
TPSA140.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.57
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide (CID 164613392) is N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide is Cc1c(NC(=O)c2ncc[nH]2)cccc1-c1cc2[nH]cnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.
What is the InChIKey of N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is DRYOVECFLZJHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O3/c1-17-20(3-2-4-21(17)35-27(37)26-29-9-10-30-26)22-15-23-24(32-16-31-23)25(34-22)33-19-7-5-18(6-8-19)28(38)36-11-13-39-14-12-36/h2-10,15-16H,11-14H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,37).
What are the key properties of N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide?
N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 522.57 g/mol, XLogP of 4.12, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[4-[4-(morpholine-4-carbonyl)anilino]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 164613392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).