(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone

C19H20ClN3O — CID 68801185

IUPAC(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone
SMILESCC1C2=C(CCN1C(=O)c1cc3ccc(Cl)cn3n1)C(C)(C)C=C2
InChIInChI=1S/C19H20ClN3O/c1-12-15-6-8-19(2,3)16(15)7-9-22(12)18(24)17-10-14-5-4-13(20)11-23(14)21-17/h4-6,8,10-12H,7,9H2,1-3H3
InChIKeyLOQWYEGYAPJJAK-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.11
Rot. Bonds1

About (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone

(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone (PubChem CID 68801185) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone
PubChem CID68801185
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone
SMILESCC1C2=C(CCN1C(=O)c1cc3ccc(Cl)cn3n1)C(C)(C)C=C2
InChIInChI=1S/C19H20ClN3O/c1-12-15-6-8-19(2,3)16(15)7-9-22(12)18(24)17-10-14-5-4-13(20)11-23(14)21-17/h4-6,8,10-12H,7,9H2,1-3H3
InChIKeyLOQWYEGYAPJJAK-UHFFFAOYSA-N
XLogP4.11
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone (CID 68801185) is (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone is CC1C2=C(CCN1C(=O)c1cc3ccc(Cl)cn3n1)C(C)(C)C=C2.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone?
The InChIKey is LOQWYEGYAPJJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-12-15-6-8-19(2,3)16(15)7-9-22(12)18(24)17-10-14-5-4-13(20)11-23(14)21-17/h4-6,8,10-12H,7,9H2,1-3H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone?
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone has a molecular weight of 341.84 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyridin-2-yl)-(1,5,5-trimethyl-3,4-dihydro-1H-cyclopenta[c]pyridin-2-yl)methanone is sourced from PubChem (CID 68801185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).