2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile

C28H27N7O — CID 67314327

IUPAC2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile
SMILESCc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C(=O)C5=CCCN(C)C5)cc4)ncc3C#N)cnc12
InChIInChI=1S/C28H27N7O/c1-18-6-4-13-35-24(16-30-27(18)35)25-23(14-29)15-31-28(33-25)32-19(2)20-8-10-21(11-9-20)26(36)22-7-5-12-34(3)17-22/h4,6-11,13,15-16,19H,5,12,17H2,1-3H3,(H,31,32,33)/t19-/m0/s1
InChIKeyPCSGLNMTYNLURP-IBGZPJMESA-N
MW477.57 g/mol
LogP4.59
Rot. Bonds6

About 2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile

2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile (PubChem CID 67314327) has the molecular formula C28H27N7O and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile
PubChem CID67314327
Molecular FormulaC28H27N7O
Molecular Weight477.57 g/mol
Exact Mass477.23
IUPAC Name2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile
SMILESCc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C(=O)C5=CCCN(C)C5)cc4)ncc3C#N)cnc12
InChIInChI=1S/C28H27N7O/c1-18-6-4-13-35-24(16-30-27(18)35)25-23(14-29)15-31-28(33-25)32-19(2)20-8-10-21(11-9-20)26(36)22-7-5-12-34(3)17-22/h4,6-11,13,15-16,19H,5,12,17H2,1-3H3,(H,31,32,33)/t19-/m0/s1
InChIKeyPCSGLNMTYNLURP-IBGZPJMESA-N
XLogP4.59
TPSA99.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile (CID 67314327) is 2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile is Cc1cccn2c(-c3nc(N[C@@H](C)c4ccc(C(=O)C5=CCCN(C)C5)cc4)ncc3C#N)cnc12.
What is the InChIKey of 2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
The InChIKey is PCSGLNMTYNLURP-IBGZPJMESA-N. The full InChI is InChI=1S/C28H27N7O/c1-18-6-4-13-35-24(16-30-27(18)35)25-23(14-29)15-31-28(33-25)32-19(2)20-8-10-21(11-9-20)26(36)22-7-5-12-34(3)17-22/h4,6-11,13,15-16,19H,5,12,17H2,1-3H3,(H,31,32,33)/t19-/m0/s1.
What are the key properties of 2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile has a molecular weight of 477.57 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-[4-(1-methyl-3,6-dihydro-2H-pyridine-5-carbonyl)phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 67314327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).