(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone

C16H13ClFN5O — CID 66846429

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
SMILESCN1c2cccc(F)c2CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C16H13ClFN5O/c1-21-14-4-2-3-12(18)11(14)5-6-23(21)16(24)13-7-15-19-8-10(17)9-22(15)20-13/h2-4,7-9H,5-6H2,1H3
InChIKeyMILCXNKAAKPPID-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.57
Rot. Bonds1

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone (PubChem CID 66846429) has the molecular formula C16H13ClFN5O and a molecular weight of 345.77 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
PubChem CID66846429
Molecular FormulaC16H13ClFN5O
Molecular Weight345.77 g/mol
Exact Mass345.08
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone
SMILESCN1c2cccc(F)c2CCN1C(=O)c1cc2ncc(Cl)cn2n1
InChIInChI=1S/C16H13ClFN5O/c1-21-14-4-2-3-12(18)11(14)5-6-23(21)16(24)13-7-15-19-8-10(17)9-22(15)20-13/h2-4,7-9H,5-6H2,1H3
InChIKeyMILCXNKAAKPPID-UHFFFAOYSA-N
XLogP2.57
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone (CID 66846429) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone is CN1c2cccc(F)c2CCN1C(=O)c1cc2ncc(Cl)cn2n1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
The InChIKey is MILCXNKAAKPPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN5O/c1-21-14-4-2-3-12(18)11(14)5-6-23(21)16(24)13-7-15-19-8-10(17)9-22(15)20-13/h2-4,7-9H,5-6H2,1H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone has a molecular weight of 345.77 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(5-fluoro-1-methyl-3,4-dihydrocinnolin-2-yl)methanone is sourced from PubChem (CID 66846429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).