N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide

C20H18FN7O — CID 68899264

IUPACN-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2ncn[nH]2)c2cc(-c3ccc(F)cc3)cnc2n1
InChIInChI=1S/C20H18FN7O/c1-20(2,3)18(29)27-19-25-15(17-23-10-24-28-17)14-8-12(9-22-16(14)26-19)11-4-6-13(21)7-5-11/h4-10H,1-3H3,(H,23,24,28)(H,22,25,26,27,29)
InChIKeyLAQHDRLHTPFXIP-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.60
Rot. Bonds3

About N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide

N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide (PubChem CID 68899264) has the molecular formula C20H18FN7O and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide
PubChem CID68899264
Molecular FormulaC20H18FN7O
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC NameN-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2ncn[nH]2)c2cc(-c3ccc(F)cc3)cnc2n1
InChIInChI=1S/C20H18FN7O/c1-20(2,3)18(29)27-19-25-15(17-23-10-24-28-17)14-8-12(9-22-16(14)26-19)11-4-6-13(21)7-5-11/h4-10H,1-3H3,(H,23,24,28)(H,22,25,26,27,29)
InChIKeyLAQHDRLHTPFXIP-UHFFFAOYSA-N
XLogP3.60
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide (CID 68899264) is N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(-c2ncn[nH]2)c2cc(-c3ccc(F)cc3)cnc2n1.
What is the InChIKey of N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is LAQHDRLHTPFXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O/c1-20(2,3)18(29)27-19-25-15(17-23-10-24-28-17)14-8-12(9-22-16(14)26-19)11-4-6-13(21)7-5-11/h4-10H,1-3H3,(H,23,24,28)(H,22,25,26,27,29).
What are the key properties of N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide?
N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 391.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 68899264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).