1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole

C19H18N4 — CID 174047004

IUPAC1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
SMILESc1nc(C2CC2)cc(-n2ncc3ccc([C@@H]4CC45CC5)cc32)n1
InChIInChI=1S/C19H18N4/c1-2-12(1)16-8-18(21-11-20-16)23-17-7-13(3-4-14(17)10-22-23)15-9-19(15)5-6-19/h3-4,7-8,10-12,15H,1-2,5-6,9H2/t15-/m0/s1
InChIKeyGJXBXUYFMGKRDL-HNNXBMFYSA-N
MW302.38 g/mol
LogP3.96
Rot. Bonds3

About 1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole

1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole (PubChem CID 174047004) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole.

Molecular Properties

Compound Name1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
PubChem CID174047004
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole
SMILESc1nc(C2CC2)cc(-n2ncc3ccc([C@@H]4CC45CC5)cc32)n1
InChIInChI=1S/C19H18N4/c1-2-12(1)16-8-18(21-11-20-16)23-17-7-13(3-4-14(17)10-22-23)15-9-19(15)5-6-19/h3-4,7-8,10-12,15H,1-2,5-6,9H2/t15-/m0/s1
InChIKeyGJXBXUYFMGKRDL-HNNXBMFYSA-N
XLogP3.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-b]pyridazine deriv. 24
CID 6539366
(1-Benzyl-1H-indazol-5-yl)-quinazolin-4-yl-amine
CID 44279444
5-[1-[6-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550248
5-[1-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550552
5-[1-[6-(6-Hydroxy-6-methyl-2-azaspiro[3.3]heptan-2-yl)pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 155557829
2-Methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 1474430
3-methyl-1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093245
6-(2-Aminopyrimidin-4-Yl)-1h-Indazol-3-Amine
CID 46215814
4-(2-cyclopropylpyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
CID 6539445

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole?
The IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole (CID 174047004) is 1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole.
What is the SMILES notation for 1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole?
The canonical SMILES for 1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole is c1nc(C2CC2)cc(-n2ncc3ccc([C@@H]4CC45CC5)cc32)n1.
What is the InChIKey of 1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole?
The InChIKey is GJXBXUYFMGKRDL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N4/c1-2-12(1)16-8-18(21-11-20-16)23-17-7-13(3-4-14(17)10-22-23)15-9-19(15)5-6-19/h3-4,7-8,10-12,15H,1-2,5-6,9H2/t15-/m0/s1.
What are the key properties of 1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole?
1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole has a molecular weight of 302.38 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyrimidin-4-yl)-6-[(2R)-spiro[2.2]pentan-2-yl]indazole is sourced from PubChem (CID 174047004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).