[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone

C25H24N6O — CID 95813924

IUPAC[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
SMILESCc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)c3cccc4cccnc34)C2)n1
InChIInChI=1S/C25H24N6O/c1-16-11-19(20-13-28-25(26)29-14-20)12-22(30-16)18-7-4-10-31(15-18)24(32)21-8-2-5-17-6-3-9-27-23(17)21/h2-3,5-6,8-9,11-14,18H,4,7,10,15H2,1H3,(H2,26,28,29)/t18-/m0/s1
InChIKeyPHJLFQRCXZMWNZ-SFHVURJKSA-N
MW424.51 g/mol
LogP4.00
Rot. Bonds3

About [(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone

[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone (PubChem CID 95813924) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is [(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
PubChem CID95813924
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
SMILESCc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)c3cccc4cccnc34)C2)n1
InChIInChI=1S/C25H24N6O/c1-16-11-19(20-13-28-25(26)29-14-20)12-22(30-16)18-7-4-10-31(15-18)24(32)21-8-2-5-17-6-3-9-27-23(17)21/h2-3,5-6,8-9,11-14,18H,4,7,10,15H2,1H3,(H2,26,28,29)/t18-/m0/s1
InChIKeyPHJLFQRCXZMWNZ-SFHVURJKSA-N
XLogP4.00
TPSA97.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-8-ylmethanone
CID 127246089
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110252448
1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(2-amino-3-pyridinyl)-[(3S)-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124958014
4-[1-(quinoline-8-carbonyl)piperidin-3-yl]benzoic acid
CID 72854481
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
5-[2-methyl-6-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-4-pyridinyl]pyrimidin-2-amine
CID 95813876
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[6-methyl-4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95813935
5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252509

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone?
The IUPAC name of [(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone (CID 95813924) is [(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone is Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(C(=O)c3cccc4cccnc34)C2)n1.
What is the InChIKey of [(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone?
The InChIKey is PHJLFQRCXZMWNZ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24N6O/c1-16-11-19(20-13-28-25(26)29-14-20)12-22(30-16)18-7-4-10-31(15-18)24(32)21-8-2-5-17-6-3-9-27-23(17)21/h2-3,5-6,8-9,11-14,18H,4,7,10,15H2,1H3,(H2,26,28,29)/t18-/m0/s1.
What are the key properties of [(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone?
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone has a molecular weight of 424.51 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 95813924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).