2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

C19H16ClN5O — CID 138544336

IUPAC2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCOCc1nc(Cl)cc(-n2ncc3ccc(C4(C#N)CC45CC5)cc32)n1
InChIInChI=1S/C19H16ClN5O/c1-26-9-16-23-15(20)7-17(24-16)25-14-6-13(3-2-12(14)8-22-25)19(11-21)10-18(19)4-5-18/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyXVFTWCXCRPFJHX-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.56
Rot. Bonds4

About 2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile

2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (PubChem CID 138544336) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.

Molecular Properties

Compound Name2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
PubChem CID138544336
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC Name2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile
SMILESCOCc1nc(Cl)cc(-n2ncc3ccc(C4(C#N)CC45CC5)cc32)n1
InChIInChI=1S/C19H16ClN5O/c1-26-9-16-23-15(20)7-17(24-16)25-14-6-13(3-2-12(14)8-22-25)19(11-21)10-18(19)4-5-18/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyXVFTWCXCRPFJHX-UHFFFAOYSA-N
XLogP3.56
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The IUPAC name of 2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile (CID 138544336) is 2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile.
What is the SMILES notation for 2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The canonical SMILES for 2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is COCc1nc(Cl)cc(-n2ncc3ccc(C4(C#N)CC45CC5)cc32)n1.
What is the InChIKey of 2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
The InChIKey is XVFTWCXCRPFJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-26-9-16-23-15(20)7-17(24-16)25-14-6-13(3-2-12(14)8-22-25)19(11-21)10-18(19)4-5-18/h2-3,6-8H,4-5,9-10H2,1H3.
What are the key properties of 2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile?
2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile has a molecular weight of 365.82 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]indazol-6-yl]spiro[2.2]pentane-2-carbonitrile is sourced from PubChem (CID 138544336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).