2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide

C28H29N7O2 — CID 90442626

IUPAC2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc2[nH]cnc2c(N2CCOC[C@H]2C)n1
InChIInChI=1S/C28H29N7O2/c1-17-5-6-20(33-27(36)19-7-8-30-24(11-19)28(3,4)15-29)12-21(17)22-13-23-25(32-16-31-23)26(34-22)35-9-10-37-14-18(35)2/h5-8,11-13,16,18H,9-10,14H2,1-4H3,(H,31,32)(H,33,36)/t18-/m1/s1
InChIKeyATAYJURVWAXKBD-GOSISDBHSA-N
MW495.59 g/mol
LogP4.61
Rot. Bonds5

About 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide

2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide (PubChem CID 90442626) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide
PubChem CID90442626
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC Name2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc2[nH]cnc2c(N2CCOC[C@H]2C)n1
InChIInChI=1S/C28H29N7O2/c1-17-5-6-20(33-27(36)19-7-8-30-24(11-19)28(3,4)15-29)12-21(17)22-13-23-25(32-16-31-23)26(34-22)35-9-10-37-14-18(35)2/h5-8,11-13,16,18H,9-10,14H2,1-4H3,(H,31,32)(H,33,36)/t18-/m1/s1
InChIKeyATAYJURVWAXKBD-GOSISDBHSA-N
XLogP4.61
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide (CID 90442626) is 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc2[nH]cnc2c(N2CCOC[C@H]2C)n1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is ATAYJURVWAXKBD-GOSISDBHSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-17-5-6-20(33-27(36)19-7-8-30-24(11-19)28(3,4)15-29)12-21(17)22-13-23-25(32-16-31-23)26(34-22)35-9-10-37-14-18(35)2/h5-8,11-13,16,18H,9-10,14H2,1-4H3,(H,31,32)(H,33,36)/t18-/m1/s1.
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-[(3R)-3-methylmorpholin-4-yl]-1H-imidazo[4,5-c]pyridin-6-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90442626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).