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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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).