N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide

C19H17ClN6O — CID 56948644

IUPACN-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C(N)Cn2nccc21
InChIInChI=1S/C19H17ClN6O/c1-19(16-7-8-23-26(16)11-17(21)25-19)12-3-2-4-14(9-12)24-18(27)15-6-5-13(20)10-22-15/h2-10H,11H2,1H3,(H2,21,25)(H,24,27)/t19-/m0/s1
InChIKeyHZJAWSZFOQZSDD-IBGZPJMESA-N
MW380.84 g/mol
LogP2.82
Rot. Bonds3

About N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide

N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide (PubChem CID 56948644) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
PubChem CID56948644
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC NameN-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C(N)Cn2nccc21
InChIInChI=1S/C19H17ClN6O/c1-19(16-7-8-23-26(16)11-17(21)25-19)12-3-2-4-14(9-12)24-18(27)15-6-5-13(20)10-22-15/h2-10H,11H2,1H3,(H2,21,25)(H,24,27)/t19-/m0/s1
InChIKeyHZJAWSZFOQZSDD-IBGZPJMESA-N
XLogP2.82
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 50991585
N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 59570586
N-[3-(6-amino-2-methylmorpholin-2-yl)phenyl]-5-chloropyridine-2-carboxamide
CID 67984187
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-methylpyridine-2-carboxamide
CID 50914251
N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 66860495
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-bromopyridine-2-carboxamide;hydrochloride
CID 66665851
5-chloro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-2-carboxamide
CID 77037502
N-[3-[(8aS)-2-amino-4a,5,7,8-tetrahydro-4H-pyrano[3,4-e][1,3]thiazin-8a-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 66847791
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-4aH-cyclopenta[e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 53250003
N-[3-[(3R)-5-amino-3-methyl-1,1-dioxo-2,6-dihydro-1,4-thiazin-3-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 72548199
N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-methylpyrazine-2-carboxamide;hydrochloride
CID 140595606
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 75603740

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide (CID 56948644) is N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide is C[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)N=C(N)Cn2nccc21.
What is the InChIKey of N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is HZJAWSZFOQZSDD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-19(16-7-8-23-26(16)11-17(21)25-19)12-3-2-4-14(9-12)24-18(27)15-6-5-13(20)10-22-15/h2-10H,11H2,1H3,(H2,21,25)(H,24,27)/t19-/m0/s1.
What are the key properties of N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide?
N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 56948644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).