3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine

C24H17N7 — CID 167513696

IUPAC3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine
SMILESC(#Cc1cnc2cccnn12)c1ccnc(-n2cc3c(n2)C(c2ccccc2)CC3)n1
InChIInChI=1S/C24H17N7/c1-2-5-17(6-3-1)21-11-8-18-16-30(29-23(18)21)24-25-14-12-19(28-24)9-10-20-15-26-22-7-4-13-27-31(20)22/h1-7,12-16,21H,8,11H2
InChIKeyBJZDDPKRBNIZES-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.18
Rot. Bonds2

About 3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine

3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine (PubChem CID 167513696) has the molecular formula C24H17N7 and a molecular weight of 403.45 g/mol. Its IUPAC name is 3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine
PubChem CID167513696
Molecular FormulaC24H17N7
Molecular Weight403.45 g/mol
Exact Mass403.15
IUPAC Name3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine
SMILESC(#Cc1cnc2cccnn12)c1ccnc(-n2cc3c(n2)C(c2ccccc2)CC3)n1
InChIInChI=1S/C24H17N7/c1-2-5-17(6-3-1)21-11-8-18-16-30(29-23(18)21)24-25-14-12-19(28-24)9-10-20-15-26-22-7-4-13-27-31(20)22/h1-7,12-16,21H,8,11H2
InChIKeyBJZDDPKRBNIZES-UHFFFAOYSA-N
XLogP3.18
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[2-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-pyridinyl]-3-phenyl-3,4-dihydropyrazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 158327474
(3S)-N-[2,4-difluoro-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)phenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 154648477
5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine
CID 123390487
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl chloride;hydrochloride
CID 139270206
N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
CID 153392577
5-[2-(2,6-dimethylcyclohexen-1-yl)ethynyl]pyrazolo[1,5-a]pyrimidine
CID 68606958
1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 176804927
(2S,3R)-1-methyl-6-oxo-2-phenyl-N-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 124606712
tert-butyl N-[5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-yl]-N-phenylcarbamate
CID 144889006
5-[2-[5-[(6S)-6-(3,5-difluorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]-3-pyridinyl]ethynyl]pyrimidin-2-amine
CID 167513670
3-[2-[2-chloro-5-[5-[(4-methylpiperazin-1-yl)methyl]-3H-indol-2-yl]phenyl]ethynyl]imidazo[1,2-b]pyridazine
CID 157097052
5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[3-methyl-5-(triazol-1-yl)phenyl]pyridine-3-carboxamide
CID 165051943

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine (CID 167513696) is 3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine is C(#Cc1cnc2cccnn12)c1ccnc(-n2cc3c(n2)C(c2ccccc2)CC3)n1.
What is the InChIKey of 3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine?
The InChIKey is BJZDDPKRBNIZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7/c1-2-5-17(6-3-1)21-11-8-18-16-30(29-23(18)21)24-25-14-12-19(28-24)9-10-20-15-26-22-7-4-13-27-31(20)22/h1-7,12-16,21H,8,11H2.
What are the key properties of 3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine?
3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine has a molecular weight of 403.45 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(6-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyrimidin-4-yl]ethynyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 167513696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).