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

C20H15ClFN7O — CID 11855960

IUPAC4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(N)ccc12
InChIInChI=1S/C20H15ClFN7O/c1-24-20(30)13-9-25-7-6-15(13)26-17-11-3-5-16(23)27-18(11)29-19(28-17)12-8-10(21)2-4-14(12)22/h2-9H,1H3,(H,24,30)(H3,23,25,26,27,28,29)
InChIKeySWMVTNIFUVMNOT-UHFFFAOYSA-N
MW423.84 g/mol
LogP3.56
Rot. Bonds4

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

4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 11855960) has the molecular formula C20H15ClFN7O and a molecular weight of 423.84 g/mol. Its IUPAC name is 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
PubChem CID11855960
Molecular FormulaC20H15ClFN7O
Molecular Weight423.84 g/mol
Exact Mass423.10
IUPAC Name4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2nc(N)ccc12
InChIInChI=1S/C20H15ClFN7O/c1-24-20(30)13-9-25-7-6-15(13)26-17-11-3-5-16(23)27-18(11)29-19(28-17)12-8-10(21)2-4-14(12)22/h2-9H,1H3,(H,24,30)(H3,23,25,26,27,28,29)
InChIKeySWMVTNIFUVMNOT-UHFFFAOYSA-N
XLogP3.56
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.84
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-methylpyridine-3-carboxamide?
The IUPAC name of 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide (CID 11855960) is 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-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-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide is 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-methylpyridine-3-carboxamide?
The InChIKey is SWMVTNIFUVMNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN7O/c1-24-20(30)13-9-25-7-6-15(13)26-17-11-3-5-16(23)27-18(11)29-19(28-17)12-8-10(21)2-4-14(12)22/h2-9H,1H3,(H,24,30)(H3,23,25,26,27,28,29).
What are the key properties of 4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide?
4-[[7-amino-2-(5-chloro-2-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 423.84 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 7 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-methylpyridine-3-carboxamide is sourced from PubChem (CID 11855960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).