[(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol

C18H21ClN6O — CID 123228336

IUPAC[(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol
SMILESCCn1cc(Cl)c(NC(O)C2CCc3[nH]nc(-c4ccncc4)c3C2)n1
InChIInChI=1S/C18H21ClN6O/c1-2-25-10-14(19)17(24-25)21-18(26)12-3-4-15-13(9-12)16(23-22-15)11-5-7-20-8-6-11/h5-8,10,12,18,26H,2-4,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyIBRQEPDJPHNQPE-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.88
Rot. Bonds5

About [(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol

[(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol (PubChem CID 123228336) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is [(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol.

Molecular Properties

Compound Name[(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol
PubChem CID123228336
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name[(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol
SMILESCCn1cc(Cl)c(NC(O)C2CCc3[nH]nc(-c4ccncc4)c3C2)n1
InChIInChI=1S/C18H21ClN6O/c1-2-25-10-14(19)17(24-25)21-18(26)12-3-4-15-13(9-12)16(23-22-15)11-5-7-20-8-6-11/h5-8,10,12,18,26H,2-4,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyIBRQEPDJPHNQPE-UHFFFAOYSA-N
XLogP2.88
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-3-(4-fluorophenyl)propan-1-ol
CID 11978341
3-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-3-(2-fluorophenyl)propan-1-ol
CID 68902557
(2S)-2-[[5-chloro-4-[(5-propan-2-yl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol
CID 11440709
(2S)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-phenylethanol
CID 11947794
N-(4-chloro-1-ethylpyrazol-3-yl)-5-methyl-3-pyridin-4-yl-1,4,6,7-tetrahydroindazole-5-carboxamide
CID 56942650
N-(4-chloro-1-ethylpyrazol-3-yl)-3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 56942651
(2R)-2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-phenylethanol
CID 68899469
2-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-phenylethanol
CID 73150454
1-[[4-[3-(2-chlorophenyl)-4-(1H-pyrazol-5-yl)pyrazol-1-yl]-2-pyridinyl]amino]ethanol
CID 123790132
4-[[[2-methyl-5-[(2-pyridin-2-ylcyclopropyl)methoxy]-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-7-ylidene]amino]methyl]pyrazol-1-amine
CID 137061639
(2S)-2-[[5-(4-chlorophenyl)-7-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]amino]propan-1-ol
CID 167014566
5-[[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]amino]pentan-1-ol
CID 170351981

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol?
The IUPAC name of [(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol (CID 123228336) is [(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol.
What is the SMILES notation for [(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol?
The canonical SMILES for [(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol is CCn1cc(Cl)c(NC(O)C2CCc3[nH]nc(-c4ccncc4)c3C2)n1.
What is the InChIKey of [(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol?
The InChIKey is IBRQEPDJPHNQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-2-25-10-14(19)17(24-25)21-18(26)12-3-4-15-13(9-12)16(23-22-15)11-5-7-20-8-6-11/h5-8,10,12,18,26H,2-4,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of [(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol?
[(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol has a molecular weight of 372.86 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-ethylpyrazol-3-yl)amino]-(3-pyridin-4-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanol is sourced from PubChem (CID 123228336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).