[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone

C26H26FN5O — CID 95813951

IUPAC[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone
SMILESCc1cc(-c2ccc(N)nc2)cc([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4n3C)C2)n1
InChIInChI=1S/C26H26FN5O/c1-16-10-19(17-5-8-25(28)29-14-17)12-22(30-16)18-4-3-9-32(15-18)26(33)24-13-20-11-21(27)6-7-23(20)31(24)2/h5-8,10-14,18H,3-4,9,15H2,1-2H3,(H2,28,29)/t18-/m1/s1
InChIKeyKIGNECTXCOXZOP-GOSISDBHSA-N
MW443.53 g/mol
LogP4.68
Rot. Bonds3

About [(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone

[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone (PubChem CID 95813951) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is [(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone
PubChem CID95813951
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone
SMILESCc1cc(-c2ccc(N)nc2)cc([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4n3C)C2)n1
InChIInChI=1S/C26H26FN5O/c1-16-10-19(17-5-8-25(28)29-14-17)12-22(30-16)18-4-3-9-32(15-18)26(33)24-13-20-11-21(27)6-7-23(20)31(24)2/h5-8,10-14,18H,3-4,9,15H2,1-2H3,(H2,28,29)/t18-/m1/s1
InChIKeyKIGNECTXCOXZOP-GOSISDBHSA-N
XLogP4.68
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110252448
[(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
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 110091836
(5-fluoro-1-methylindol-2-yl)-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97196379
5-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 124974066
[3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110091843
[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 125010830
5-[2-[1-[(5-fluoro-1-methylindol-3-yl)methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252516
(5-fluoro-1-methylindol-2-yl)-[(1S,6R)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 97181355
(2,5-dimethoxyphenyl)-[(3R)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 125019122
[(3S)-3-[4-(2-aminopyrimidin-5-yl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-8-ylmethanone
CID 95813924

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone?
The IUPAC name of [(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone (CID 95813951) is [(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone?
The canonical SMILES for [(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone is Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCCN(C(=O)c3cc4cc(F)ccc4n3C)C2)n1.
What is the InChIKey of [(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone?
The InChIKey is KIGNECTXCOXZOP-GOSISDBHSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-16-10-19(17-5-8-25(28)29-14-17)12-22(30-16)18-4-3-9-32(15-18)26(33)24-13-20-11-21(27)6-7-23(20)31(24)2/h5-8,10-14,18H,3-4,9,15H2,1-2H3,(H2,28,29)/t18-/m1/s1.
What are the key properties of [(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone?
[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone has a molecular weight of 443.53 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone is sourced from PubChem (CID 95813951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).