N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide

C17H15F2N5O — CID 6539562

IUPACN-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12)C1CCCC1
InChIInChI=1S/C17H15F2N5O/c18-12-7-3-6-10(14(12)19)13-8-11-15(22-24-16(11)23-21-13)20-17(25)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,20,22,23,24,25)
InChIKeyPBPNRBLKSDOCOP-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.43
Rot. Bonds3

About N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide

N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide (PubChem CID 6539562) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide
PubChem CID6539562
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12)C1CCCC1
InChIInChI=1S/C17H15F2N5O/c18-12-7-3-6-10(14(12)19)13-8-11-15(22-24-16(11)23-21-13)20-17(25)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,20,22,23,24,25)
InChIKeyPBPNRBLKSDOCOP-UHFFFAOYSA-N
XLogP3.43
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-1-ethylpiperidine-4-carboxamide
CID 6539563
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 6539564
N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539527
4-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
CID 6539554
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539603
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539606
N-{4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539553
N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}-4-(pyrrolidin-1-yl)butanamide
CID 6539555
4-(4-ethylpiperazin-1-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539556
4-(morpholin-4-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539557
1-methyl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)piperidine-4-carboxamide
CID 6539558
5-(4-ethylpiperazin-1-yl)-N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}pentanamide
CID 6539559

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide (CID 6539562) is N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide is O=C(Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12)C1CCCC1.
What is the InChIKey of N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide?
The InChIKey is PBPNRBLKSDOCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c18-12-7-3-6-10(14(12)19)13-8-11-15(22-24-16(11)23-21-13)20-17(25)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,20,22,23,24,25).
What are the key properties of N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide?
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide has a molecular weight of 343.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 6539562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).