(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide

C25H25ClFN7O — CID 146661706

IUPAC(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1
InChIInChI=1S/C25H25ClFN7O/c1-14(2)31-25(35)23-13-34(8-7-28-23)16-10-22-21(29-11-16)6-5-20(32-22)18-12-30-33-24(18)17-9-15(26)3-4-19(17)27/h3-6,9-12,14,23,28H,7-8,13H2,1-2H3,(H,30,33)(H,31,35)/t23-/m1/s1
InChIKeySNUMFFBHVWBWSB-HSZRJFAPSA-N
MW493.97 g/mol
LogP3.78
Rot. Bonds5

About (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide

(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide (PubChem CID 146661706) has the molecular formula C25H25ClFN7O and a molecular weight of 493.97 g/mol. Its IUPAC name is (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide
PubChem CID146661706
Molecular FormulaC25H25ClFN7O
Molecular Weight493.97 g/mol
Exact Mass493.18
IUPAC Name(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)NC(=O)[C@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1
InChIInChI=1S/C25H25ClFN7O/c1-14(2)31-25(35)23-13-34(8-7-28-23)16-10-22-21(29-11-16)6-5-20(32-22)18-12-30-33-24(18)17-9-15(26)3-4-19(17)27/h3-6,9-12,14,23,28H,7-8,13H2,1-2H3,(H,30,33)(H,31,35)/t23-/m1/s1
InChIKeySNUMFFBHVWBWSB-HSZRJFAPSA-N
XLogP3.78
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide (CID 146661706) is (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide is CC(C)NC(=O)[C@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1.
What is the InChIKey of (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is SNUMFFBHVWBWSB-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25ClFN7O/c1-14(2)31-25(35)23-13-34(8-7-28-23)16-10-22-21(29-11-16)6-5-20(32-22)18-12-30-33-24(18)17-9-15(26)3-4-19(17)27/h3-6,9-12,14,23,28H,7-8,13H2,1-2H3,(H,30,33)(H,31,35)/t23-/m1/s1.
What are the key properties of (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide?
(2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 493.97 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-N-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 146661706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).