[7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol

C13H15ClN6O — CID 173086988

IUPAC[7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol
SMILESOCc1cn2c(n1)CN(Cl)C=C2Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H15ClN6O/c14-19-5-12-15-9(7-21)4-20(12)13(6-19)16-11-3-10(17-18-11)8-1-2-8/h3-4,6,8,21H,1-2,5,7H2,(H2,16,17,18)
InChIKeyHSFZDZQFGRDCIQ-UHFFFAOYSA-N
MW306.76 g/mol
LogP1.81
Rot. Bonds4

About [7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol

[7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol (PubChem CID 173086988) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is [7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol
PubChem CID173086988
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name[7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol
SMILESOCc1cn2c(n1)CN(Cl)C=C2Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H15ClN6O/c14-19-5-12-15-9(7-21)4-20(12)13(6-19)16-11-3-10(17-18-11)8-1-2-8/h3-4,6,8,21H,1-2,5,7H2,(H2,16,17,18)
InChIKeyHSFZDZQFGRDCIQ-UHFFFAOYSA-N
XLogP1.81
TPSA82.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(2,6-dimethylphenyl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087467
7-(3-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087413
7-(2-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173086806
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(4-methylphenyl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087210
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-ethylpyrimidin-4-amine
CID 86047710
7-(5-chloro-2-methoxyphenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173087326
3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-ethylbenzamide
CID 173087586
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(2-methoxy-5-methylphenyl)-8H-imidazo[1,2-a]pyrazin-5-amine
CID 173086981
3-[5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]-N-methylbenzamide
CID 173087002
N-[4-[[2-[(4-methylpiperazin-1-yl)methyl]-5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]cyclopropanecarboxamide
CID 173087463
1-[1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyrrolidin-3-yl]propane-2-thiol
CID 169160007
2-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 170131198

Frequently Asked Questions

What is the IUPAC name of [7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol?
The IUPAC name of [7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol (CID 173086988) is [7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol?
The canonical SMILES for [7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol is OCc1cn2c(n1)CN(Cl)C=C2Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of [7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol?
The InChIKey is HSFZDZQFGRDCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN6O/c14-19-5-12-15-9(7-21)4-20(12)13(6-19)16-11-3-10(17-18-11)8-1-2-8/h3-4,6,8,21H,1-2,5,7H2,(H2,16,17,18).
What are the key properties of [7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol?
[7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol has a molecular weight of 306.76 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 173086988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).