4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide

C25H26FN9O3 — CID 137292375

IUPAC4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccc(Nc2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c(F)c1
InChIInChI=1S/C25H26FN9O3/c26-17-8-13(23(36)30-16-2-1-7-27-12-16)3-6-18(17)31-20-10-21(29-15-4-5-15)35-22(33-20)14(11-28-35)9-19-24(37)34-25(38)32-19/h3,6,8-11,15-16,27,31,37H,1-2,4-5,7,12H2,(H,30,36)(H2,32,34,38)/b14-9+,29-21+
InChIKeyGZLWYYISKRCUBF-KKJIQVHUSA-N
MW519.54 g/mol
LogP0.43
Rot. Bonds6

About 4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide

4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide (PubChem CID 137292375) has the molecular formula C25H26FN9O3 and a molecular weight of 519.54 g/mol. Its IUPAC name is 4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide
PubChem CID137292375
Molecular FormulaC25H26FN9O3
Molecular Weight519.54 g/mol
Exact Mass519.21
IUPAC Name4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide
SMILESO=C(NC1CCCNC1)c1ccc(Nc2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c(F)c1
InChIInChI=1S/C25H26FN9O3/c26-17-8-13(23(36)30-16-2-1-7-27-12-16)3-6-18(17)31-20-10-21(29-15-4-5-15)35-22(33-20)14(11-28-35)9-19-24(37)34-25(38)32-19/h3,6,8-11,15-16,27,31,37H,1-2,4-5,7,12H2,(H,30,36)(H2,32,34,38)/b14-9+,29-21+
InChIKeyGZLWYYISKRCUBF-KKJIQVHUSA-N
XLogP0.43
TPSA164.59 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.54
LogP ≤ 50.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-(1-methylidenepiperidin-1-ium-4-yl)benzamide
CID 137094837
4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-methylbenzamide
CID 163982704
4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 137317523
4-[(E)-[7-cyclopropylimino-5-(2-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137304386
5-[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 137073078
4-[[7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbenzonitrile
CID 137128601
4-[(E)-[7-cyclopropylimino-5-(2-methoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137292508
4-[[5-[(5-chloro-4-methyl-3-pyridinyl)amino]-7-cyclopropyliminopyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137133235
N-cyclobutyl-5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide
CID 137317600
4-[(E)-[7-cyclopropylimino-5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137303116
N-cyclopropyl-5-[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide
CID 137304369
4-[(E)-[7-cyclopropylimino-5-[1-(3,5-difluorophenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
CID 137283338

Frequently Asked Questions

What is the IUPAC name of 4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide (CID 137292375) is 4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide is O=C(NC1CCCNC1)c1ccc(Nc2c/c(=N\C3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c(F)c1.
What is the InChIKey of 4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide?
The InChIKey is GZLWYYISKRCUBF-KKJIQVHUSA-N. The full InChI is InChI=1S/C25H26FN9O3/c26-17-8-13(23(36)30-16-2-1-7-27-12-16)3-6-18(17)31-20-10-21(29-15-4-5-15)35-22(33-20)14(11-28-35)9-19-24(37)34-25(38)32-19/h3,6,8-11,15-16,27,31,37H,1-2,4-5,7,12H2,(H,30,36)(H2,32,34,38)/b14-9+,29-21+.
What are the key properties of 4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide?
4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide has a molecular weight of 519.54 g/mol, XLogP of 0.43, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3E)-7-cyclopropylimino-3-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methylidene]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-fluoro-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 137292375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).