3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide

C23H26FN7O — CID 173100067

IUPAC3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide
SMILES[H]/N=C(\N)C(=C(C)NC(=C)c1nn(Cc2ccccc2F)c2ncccc12)N1CCOCC1
InChIInChI=1S/C23H26FN7O/c1-15(28-16(2)21(22(25)26)30-10-12-32-13-11-30)20-18-7-5-9-27-23(18)31(29-20)14-17-6-3-4-8-19(17)24/h3-9,28H,1,10-14H2,2H3,(H3,25,26)
InChIKeyPPSDBNFPAZNNRK-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.68
Rot. Bonds7

About 3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide

3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide (PubChem CID 173100067) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is 3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide.

Molecular Properties

Compound Name3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide
PubChem CID173100067
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC Name3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide
SMILES[H]/N=C(\N)C(=C(C)NC(=C)c1nn(Cc2ccccc2F)c2ncccc12)N1CCOCC1
InChIInChI=1S/C23H26FN7O/c1-15(28-16(2)21(22(25)26)30-10-12-32-13-11-30)20-18-7-5-9-27-23(18)31(29-20)14-17-6-3-4-8-19(17)24/h3-9,28H,1,10-14H2,2H3,(H3,25,26)
InChIKeyPPSDBNFPAZNNRK-UHFFFAOYSA-N
XLogP2.68
TPSA105.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[3-[2-[amino-[(2-fluorophenyl)methyl]amino]-3-pyridinyl]buta-1,3-dien-2-ylamino]-2-morpholin-4-ylbut-2-enimidamide
CID 173154729
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972
N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 142185000
N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide
CID 154023247
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918
4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride
CID 159463183
5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
CID 66635083
6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
CID 71612612
[[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]amino] propanoate
CID 174450727
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
CID 86686151
N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 66655946
N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 123648665

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide?
The IUPAC name of 3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide (CID 173100067) is 3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide.
What is the SMILES notation for 3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide?
The canonical SMILES for 3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide is [H]/N=C(\N)C(=C(C)NC(=C)c1nn(Cc2ccccc2F)c2ncccc12)N1CCOCC1.
What is the InChIKey of 3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide?
The InChIKey is PPSDBNFPAZNNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-15(28-16(2)21(22(25)26)30-10-12-32-13-11-30)20-18-7-5-9-27-23(18)31(29-20)14-17-6-3-4-8-19(17)24/h3-9,28H,1,10-14H2,2H3,(H3,25,26).
What are the key properties of 3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide?
3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide has a molecular weight of 435.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide is sourced from PubChem (CID 173100067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).