[(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone

C27H26N6O — CID 177374055

IUPAC[(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1
InChIInChI=1S/C27H26N6O/c28-21-5-3-14-32(16-21)27(34)20-9-7-18(8-10-20)22-11-12-23-25(31-22)26(30-17-29-23)33-15-13-19-4-1-2-6-24(19)33/h1-2,4,6-12,17,21H,3,5,13-16,28H2/t21-/m1/s1
InChIKeyBBQVZHIHIVJRIC-OAQYLSRUSA-N
MW450.55 g/mol
LogP3.95
Rot. Bonds3

About [(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone

[(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone (PubChem CID 177374055) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone
PubChem CID177374055
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1
InChIInChI=1S/C27H26N6O/c28-21-5-3-14-32(16-21)27(34)20-9-7-18(8-10-20)22-11-12-23-25(31-22)26(30-17-29-23)33-15-13-19-4-1-2-6-24(19)33/h1-2,4,6-12,17,21H,3,5,13-16,28H2/t21-/m1/s1
InChIKeyBBQVZHIHIVJRIC-OAQYLSRUSA-N
XLogP3.95
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone with MolForge

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Related Compounds

(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
[3-[4-(5-fluoro-2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]-piperazin-1-ylmethanone
CID 177374063
(3-aminopyrrolidin-1-yl)-[4-(6-methyl-2-pyridinyl)phenyl]methanone
CID 118768512
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
(3-aminopiperidin-1-yl)-(4-phenoxyphenyl)methanone
CID 119377677
[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 124593909
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
(3-aminopiperidin-1-yl)-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 119378639
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone (CID 177374055) is [(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone is N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncnc(N5CCc6ccccc65)c4n3)cc2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone?
The InChIKey is BBQVZHIHIVJRIC-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H26N6O/c28-21-5-3-14-32(16-21)27(34)20-9-7-18(8-10-20)22-11-12-23-25(31-22)26(30-17-29-23)33-15-13-19-4-1-2-6-24(19)33/h1-2,4,6-12,17,21H,3,5,13-16,28H2/t21-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone has a molecular weight of 450.55 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[4-[4-(2,3-dihydroindol-1-yl)pyrido[3,2-d]pyrimidin-6-yl]phenyl]methanone is sourced from PubChem (CID 177374055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).