6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one

C21H29BrN4O — CID 163596442

IUPAC6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCCC[C@H](c1nc2ncc(Br)cc2c(=O)n1CC1CC1)N1CCC[C@@H](C)C1
InChIInChI=1S/C21H29BrN4O/c1-3-5-18(25-9-4-6-14(2)12-25)20-24-19-17(10-16(22)11-23-19)21(27)26(20)13-15-7-8-15/h10-11,14-15,18H,3-9,12-13H2,1-2H3/t14-,18-/m1/s1
InChIKeySNZUNTOTGMEGAM-RDTXWAMCSA-N
MW433.39 g/mol
LogP4.54
Rot. Bonds6

About 6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one

6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 163596442) has the molecular formula C21H29BrN4O and a molecular weight of 433.39 g/mol. Its IUPAC name is 6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID163596442
Molecular FormulaC21H29BrN4O
Molecular Weight433.39 g/mol
Exact Mass432.15
IUPAC Name6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCCC[C@H](c1nc2ncc(Br)cc2c(=O)n1CC1CC1)N1CCC[C@@H](C)C1
InChIInChI=1S/C21H29BrN4O/c1-3-5-18(25-9-4-6-14(2)12-25)20-24-19-17(10-16(22)11-23-19)21(27)26(20)13-15-7-8-15/h10-11,14-15,18H,3-9,12-13H2,1-2H3/t14-,18-/m1/s1
InChIKeySNZUNTOTGMEGAM-RDTXWAMCSA-N
XLogP4.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-bromo-3-ethyl-2-(1-piperidin-1-ylbutyl)pyrido[2,3-d]pyrimidin-4-one
CID 163800302
6-bromo-3-ethyl-7-fluoro-2-[(1S)-1-[(3S)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
CID 163836084
3-ethyl-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[4,3-d]pyrimidin-4-one
CID 163962579
3-ethyl-8-fluoro-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]quinazolin-4-one
CID 163823148
6-bromo-3-ethyl-2-[(1S)-1-(4-methyl-1,4-diazepan-1-yl)butyl]imidazo[4,5-b]pyridine
CID 146328263
5-bromo-12-ethyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,6,9-tetraen-2-one
CID 166046841
2-[6-bromo-2-[1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]butyl]-4-oxoquinazolin-3-yl]acetic acid
CID 163446105
6-bromo-3-ethyl-2-[1-(3-methylpiperazin-1-yl)butyl]quinazolin-4-one
CID 156783667
6-bromo-2-[1-(4-methyl-1,4-diazepan-1-yl)butyl]-3-propylimidazo[4,5-b]pyridine
CID 146328275
6-bromo-3-ethyl-2-[1-[4-(methylamino)piperidin-1-yl]butyl]quinazolin-4-one
CID 164617808
(2S)-2-(5-bromo-3-pyridinyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 124845265
6-bromo-3-ethyl-2-[(1S)-1-[(3S)-3-(hydroxymethyl)piperazin-1-yl]butyl]quinazolin-4-one
CID 156783741

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one (CID 163596442) is 6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one is CCC[C@H](c1nc2ncc(Br)cc2c(=O)n1CC1CC1)N1CCC[C@@H](C)C1.
What is the InChIKey of 6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is SNZUNTOTGMEGAM-RDTXWAMCSA-N. The full InChI is InChI=1S/C21H29BrN4O/c1-3-5-18(25-9-4-6-14(2)12-25)20-24-19-17(10-16(22)11-23-19)21(27)26(20)13-15-7-8-15/h10-11,14-15,18H,3-9,12-13H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of 6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one?
6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 433.39 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(cyclopropylmethyl)-2-[(1R)-1-[(3R)-3-methylpiperidin-1-yl]butyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 163596442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).