2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile

C26H24N8O — CID 67313383

IUPAC2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile
SMILESCc1cccn2c(-c3nc(N[C@@H](C)c4ccc(Cc5nc(O)cn5C)cc4)ncc3C#N)cnc12
InChIInChI=1S/C26H24N8O/c1-16-5-4-10-34-21(14-28-25(16)34)24-20(12-27)13-29-26(32-24)30-17(2)19-8-6-18(7-9-19)11-22-31-23(35)15-33(22)3/h4-10,13-15,17,35H,11H2,1-3H3,(H,29,30,32)/t17-/m0/s1
InChIKeyMWOYOQHEHCTGHI-KRWDZBQOSA-N
MW464.53 g/mol
LogP4.17
Rot. Bonds6

About 2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile

2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile (PubChem CID 67313383) has the molecular formula C26H24N8O and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile
PubChem CID67313383
Molecular FormulaC26H24N8O
Molecular Weight464.53 g/mol
Exact Mass464.21
IUPAC Name2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile
SMILESCc1cccn2c(-c3nc(N[C@@H](C)c4ccc(Cc5nc(O)cn5C)cc4)ncc3C#N)cnc12
InChIInChI=1S/C26H24N8O/c1-16-5-4-10-34-21(14-28-25(16)34)24-20(12-27)13-29-26(32-24)30-17(2)19-8-6-18(7-9-19)11-22-31-23(35)15-33(22)3/h4-10,13-15,17,35H,11H2,1-3H3,(H,29,30,32)/t17-/m0/s1
InChIKeyMWOYOQHEHCTGHI-KRWDZBQOSA-N
XLogP4.17
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
The IUPAC name of 2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile (CID 67313383) is 2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]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-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile is Cc1cccn2c(-c3nc(N[C@@H](C)c4ccc(Cc5nc(O)cn5C)cc4)ncc3C#N)cnc12.
What is the InChIKey of 2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
The InChIKey is MWOYOQHEHCTGHI-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H24N8O/c1-16-5-4-10-34-21(14-28-25(16)34)24-20(12-27)13-29-26(32-24)30-17(2)19-8-6-18(7-9-19)11-22-31-23(35)15-33(22)3/h4-10,13-15,17,35H,11H2,1-3H3,(H,29,30,32)/t17-/m0/s1.
What are the key properties of 2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile?
2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile has a molecular weight of 464.53 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-[4-[(4-hydroxy-1-methylimidazol-2-yl)methyl]phenyl]ethyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 67313383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).