(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone

C17H16ClN5O — CID 66846297

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone
SMILESCc1cccc2c1N(C)N(C(=O)c1cc3ncc(Cl)cn3n1)CC2
InChIInChI=1S/C17H16ClN5O/c1-11-4-3-5-12-6-7-23(21(2)16(11)12)17(24)14-8-15-19-9-13(18)10-22(15)20-14/h3-5,8-10H,6-7H2,1-2H3
InChIKeyFLRRCXCJBHWMRG-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.74
Rot. Bonds1

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone (PubChem CID 66846297) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone
PubChem CID66846297
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone
SMILESCc1cccc2c1N(C)N(C(=O)c1cc3ncc(Cl)cn3n1)CC2
InChIInChI=1S/C17H16ClN5O/c1-11-4-3-5-12-6-7-23(21(2)16(11)12)17(24)14-8-15-19-9-13(18)10-22(15)20-14/h3-5,8-10H,6-7H2,1-2H3
InChIKeyFLRRCXCJBHWMRG-UHFFFAOYSA-N
XLogP2.74
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.74
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)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone (CID 66846297) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone is Cc1cccc2c1N(C)N(C(=O)c1cc3ncc(Cl)cn3n1)CC2.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone?
The InChIKey is FLRRCXCJBHWMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-4-3-5-12-6-7-23(21(2)16(11)12)17(24)14-8-15-19-9-13(18)10-22(15)20-14/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone has a molecular weight of 341.80 g/mol, XLogP of 2.74, 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)-(1,8-dimethyl-3,4-dihydrocinnolin-2-yl)methanone is sourced from PubChem (CID 66846297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).