4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide

C22H19ClFN7O2 — CID 11856228

IUPAC4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(N)ccc12
InChIInChI=1S/C22H19ClFN7O2/c1-11(32)9-27-22(33)15-10-26-7-6-17(15)28-19-13-3-5-18(25)29-20(13)31-21(30-19)14-8-12(23)2-4-16(14)24/h2-8,10-11,32H,9H2,1H3,(H,27,33)(H3,25,26,28,29,30,31)/t11-/m0/s1
InChIKeySSKPGAPVDMHLGS-NSHDSACASA-N
MW467.89 g/mol
LogP3.32
Rot. Bonds6

About 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide

4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 11856228) has the molecular formula C22H19ClFN7O2 and a molecular weight of 467.89 g/mol. Its IUPAC name is 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID11856228
Molecular FormulaC22H19ClFN7O2
Molecular Weight467.89 g/mol
Exact Mass467.13
IUPAC Name4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(N)ccc12
InChIInChI=1S/C22H19ClFN7O2/c1-11(32)9-27-22(33)15-10-26-7-6-17(15)28-19-13-3-5-18(25)29-20(13)31-21(30-19)14-8-12(23)2-4-16(14)24/h2-8,10-11,32H,9H2,1H3,(H,27,33)(H3,25,26,28,29,30,31)/t11-/m0/s1
InChIKeySSKPGAPVDMHLGS-NSHDSACASA-N
XLogP3.32
TPSA138.94 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.89
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide (CID 11856228) is 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide is C[C@H](O)CNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(N)ccc12.
What is the InChIKey of 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is SSKPGAPVDMHLGS-NSHDSACASA-N. The full InChI is InChI=1S/C22H19ClFN7O2/c1-11(32)9-27-22(33)15-10-26-7-6-17(15)28-19-13-3-5-18(25)29-20(13)31-21(30-19)14-8-12(23)2-4-16(14)24/h2-8,10-11,32H,9H2,1H3,(H,27,33)(H3,25,26,28,29,30,31)/t11-/m0/s1.
What are the key properties of 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 467.89 g/mol, XLogP of 3.32, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 11856228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).