1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C27H31N5O — CID 95834616

IUPAC1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CCN3CCCc4ccccc43)C2)n1
InChIInChI=1S/C27H31N5O/c1-19-15-23(21-8-9-26(28)29-17-21)16-24(30-19)22-10-13-32(18-22)27(33)11-14-31-12-4-6-20-5-2-3-7-25(20)31/h2-3,5,7-9,15-17,22H,4,6,10-14,18H2,1H3,(H2,28,29)/t22-/m1/s1
InChIKeyARQCZXCXMSKTTN-JOCHJYFZSA-N
MW441.58 g/mol
LogP4.19
Rot. Bonds5

About 1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one

1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 95834616) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID95834616
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CCN3CCCc4ccccc43)C2)n1
InChIInChI=1S/C27H31N5O/c1-19-15-23(21-8-9-26(28)29-17-21)16-24(30-19)22-10-13-32(18-22)27(33)11-14-31-12-4-6-20-5-2-3-7-25(20)31/h2-3,5,7-9,15-17,22H,4,6,10-14,18H2,1H3,(H2,28,29)/t22-/m1/s1
InChIKeyARQCZXCXMSKTTN-JOCHJYFZSA-N
XLogP4.19
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one with MolForge

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Related Compounds

3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 124968339
[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 95814069
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 110264819
1-[2-[2-[(3R)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 95834632
[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110252448
1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(3-chlorophenyl)propan-1-one
CID 124986015
1-[(2R)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one
CID 124946154
1-[3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 110264820
1-[4-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)ethanone
CID 92617268
[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone
CID 95813951
3-(3,4-dihydro-2H-quinolin-1-yl)-1-[2-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 127249793
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109033505

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 95834616) is 1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCN(C(=O)CCN3CCCc4ccccc43)C2)n1.
What is the InChIKey of 1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is ARQCZXCXMSKTTN-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H31N5O/c1-19-15-23(21-8-9-26(28)29-17-21)16-24(30-19)22-10-13-32(18-22)27(33)11-14-31-12-4-6-20-5-2-3-7-25(20)31/h2-3,5,7-9,15-17,22H,4,6,10-14,18H2,1H3,(H2,28,29)/t22-/m1/s1.
What are the key properties of 1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 441.58 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 95834616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).