(2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide

C22H19ClFN7O — CID 146661703

IUPAC(2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1
InChIInChI=1S/C22H19ClFN7O/c23-12-1-2-16(24)14(7-12)21-15(10-28-30-21)17-3-4-18-19(29-17)8-13(9-27-18)31-6-5-26-20(11-31)22(25)32/h1-4,7-10,20,26H,5-6,11H2,(H2,25,32)(H,28,30)/t20-/m0/s1
InChIKeyPEHKRVUWLANOKD-FQEVSTJZSA-N
MW451.89 g/mol
LogP2.74
Rot. Bonds4

About (2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide

(2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide (PubChem CID 146661703) has the molecular formula C22H19ClFN7O and a molecular weight of 451.89 g/mol. Its IUPAC name is (2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide
PubChem CID146661703
Molecular FormulaC22H19ClFN7O
Molecular Weight451.89 g/mol
Exact Mass451.13
IUPAC Name(2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide
SMILESNC(=O)[C@@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1
InChIInChI=1S/C22H19ClFN7O/c23-12-1-2-16(24)14(7-12)21-15(10-28-30-21)17-3-4-18-19(29-17)8-13(9-27-18)31-6-5-26-20(11-31)22(25)32/h1-4,7-10,20,26H,5-6,11H2,(H2,25,32)(H,28,30)/t20-/m0/s1
InChIKeyPEHKRVUWLANOKD-FQEVSTJZSA-N
XLogP2.74
TPSA112.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-Chloro-2-Fluorophenyl)pyridin-4-Yl]-2-[(Piperidin-4-Yl)methyl]-2h-Pyrazolo[4,3-B]pyridin-7-Amine
CID 54671256
ML300-based SC inhibitor 39
CID 156027235
2-[7-[[2-(5-Chloro-2-fluorophenyl)-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670034
N-(2-(5-chloro-2-fluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54670128
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]acetamide
CID 54670129
2-[7-[[2-(5-Chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]acetamide
CID 54670130
N-(2-(5-chloro-2-fluorophenyl)pyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
(9R,13S)-13-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one
CID 118286047
US20240018122, Example 32
CID 168072231
MAT-POS-24589f88-16
CID 156906211
6-chloro-N-[2-[4-(piperidin-1-ylmethyl)triazol-1-yl]ethyl]-2-[(E)-2-pyridin-4-ylethenyl]quinolin-4-amine
CID 162643131
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1-(piperidin-4-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine
CID 54671255

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide?
The IUPAC name of (2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide (CID 146661703) is (2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide is NC(=O)[C@@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1.
What is the InChIKey of (2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide?
The InChIKey is PEHKRVUWLANOKD-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19ClFN7O/c23-12-1-2-16(24)14(7-12)21-15(10-28-30-21)17-3-4-18-19(29-17)8-13(9-27-18)31-6-5-26-20(11-31)22(25)32/h1-4,7-10,20,26H,5-6,11H2,(H2,25,32)(H,28,30)/t20-/m0/s1.
What are the key properties of (2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide?
(2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide has a molecular weight of 451.89 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[6-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 146661703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).