1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

C33H39ClFN7O — CID 151987519

IUPAC1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)c1cc(N2CCC2)nc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)NC[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C33H39ClFN7O/c1-18(2)23-15-27(40-12-9-13-40)37-28(19(3)4)30(23)42-32-24(14-25(34)29(38-32)22-10-7-8-11-26(22)35)31(39-33(42)43)41-17-20(5)36-16-21(41)6/h7-8,10-11,14-15,18-21,36H,9,12-13,16-17H2,1-6H3/t20-,21+/m1/s1
InChIKeyUDYYLHDYVPHYCI-RTWAWAEBSA-N
MW604.17 g/mol
LogP6.28
Rot. Bonds6

About 1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one

1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 151987519) has the molecular formula C33H39ClFN7O and a molecular weight of 604.17 g/mol. Its IUPAC name is 1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID151987519
Molecular FormulaC33H39ClFN7O
Molecular Weight604.17 g/mol
Exact Mass603.29
IUPAC Name1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)c1cc(N2CCC2)nc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)NC[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C33H39ClFN7O/c1-18(2)23-15-27(40-12-9-13-40)37-28(19(3)4)30(23)42-32-24(14-25(34)29(38-32)22-10-7-8-11-26(22)35)31(39-33(42)43)41-17-20(5)36-16-21(41)6/h7-8,10-11,14-15,18-21,36H,9,12-13,16-17H2,1-6H3/t20-,21+/m1/s1
InChIKeyUDYYLHDYVPHYCI-RTWAWAEBSA-N
XLogP6.28
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.17
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one (CID 151987519) is 1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is CC(C)c1cc(N2CCC2)nc(C(C)C)c1-n1c(=O)nc(N2C[C@@H](C)NC[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is UDYYLHDYVPHYCI-RTWAWAEBSA-N. The full InChI is InChI=1S/C33H39ClFN7O/c1-18(2)23-15-27(40-12-9-13-40)37-28(19(3)4)30(23)42-32-24(14-25(34)29(38-32)22-10-7-8-11-26(22)35)31(39-33(42)43)41-17-20(5)36-16-21(41)6/h7-8,10-11,14-15,18-21,36H,9,12-13,16-17H2,1-6H3/t20-,21+/m1/s1.
What are the key properties of 1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one?
1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 604.17 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azetidin-1-yl)-2,4-di(propan-2-yl)-3-pyridinyl]-6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 151987519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).