(1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol

C17H17N5O — CID 71865388

IUPAC(1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1ccn(-c2ccc(N[C@@H]3c4ccccc4C[C@@H]3O)nn2)n1
InChIInChI=1S/C17H17N5O/c1-11-8-9-22(21-11)16-7-6-15(19-20-16)18-17-13-5-3-2-4-12(13)10-14(17)23/h2-9,14,17,23H,10H2,1H3,(H,18,19)/t14-,17+/m0/s1
InChIKeyYLWQUGHYFVUQJH-WMLDXEAASA-N
MW307.36 g/mol
LogP2.04
Rot. Bonds3

About (1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 71865388) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is (1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID71865388
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name(1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1ccn(-c2ccc(N[C@@H]3c4ccccc4C[C@@H]3O)nn2)n1
InChIInChI=1S/C17H17N5O/c1-11-8-9-22(21-11)16-7-6-15(19-20-16)18-17-13-5-3-2-4-12(13)10-14(17)23/h2-9,14,17,23H,10H2,1H3,(H,18,19)/t14-,17+/m0/s1
InChIKeyYLWQUGHYFVUQJH-WMLDXEAASA-N
XLogP2.04
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol with MolForge

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Related Compounds

(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
1-[(5,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133489747
cyclohexyl-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
CID 133291151
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-phenylpropanamide
CID 122327087
N-(cyclopropylmethyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
CID 133441969
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
1-(2,5-dimethylpyrazol-3-yl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133325552
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419
1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea
CID 16839232
methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate
CID 133490320

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol (CID 71865388) is (1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol is Cc1ccn(-c2ccc(N[C@@H]3c4ccccc4C[C@@H]3O)nn2)n1.
What is the InChIKey of (1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is YLWQUGHYFVUQJH-WMLDXEAASA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-8-9-22(21-11)16-7-6-15(19-20-16)18-17-13-5-3-2-4-12(13)10-14(17)23/h2-9,14,17,23H,10H2,1H3,(H,18,19)/t14-,17+/m0/s1.
What are the key properties of (1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 307.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 71865388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).