(3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide

C20H17N5O2 — CID 95973922

IUPAC(3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)[C@H]1CC(C(=O)Nc2ccnc3ccncc23)=NN1c1ccccc1
InChIInChI=1S/C20H17N5O2/c1-13(26)19-11-18(24-25(19)14-5-3-2-4-6-14)20(27)23-17-8-10-22-16-7-9-21-12-15(16)17/h2-10,12,19H,11H2,1H3,(H,22,23,27)/t19-/m1/s1
InChIKeyBUDVMKKZQHTLTI-LJQANCHMSA-N
MW359.39 g/mol
LogP2.79
Rot. Bonds4

About (3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide

(3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 95973922) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is (3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID95973922
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name(3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)[C@H]1CC(C(=O)Nc2ccnc3ccncc23)=NN1c1ccccc1
InChIInChI=1S/C20H17N5O2/c1-13(26)19-11-18(24-25(19)14-5-3-2-4-6-14)20(27)23-17-8-10-22-16-7-9-21-12-15(16)17/h2-10,12,19H,11H2,1H3,(H,22,23,27)/t19-/m1/s1
InChIKeyBUDVMKKZQHTLTI-LJQANCHMSA-N
XLogP2.79
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 95973922) is (3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide is CC(=O)[C@H]1CC(C(=O)Nc2ccnc3ccncc23)=NN1c1ccccc1.
What is the InChIKey of (3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is BUDVMKKZQHTLTI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-13(26)19-11-18(24-25(19)14-5-3-2-4-6-14)20(27)23-17-8-10-22-16-7-9-21-12-15(16)17/h2-10,12,19H,11H2,1H3,(H,22,23,27)/t19-/m1/s1.
What are the key properties of (3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
(3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 95973922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).