1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol

C26H30FN7O — CID 137305496

IUPAC1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(-c2cc(N)[nH]c3c(ccn2)c(-c2ccc(F)cc2)nn3CC2CC2)c1C
InChIInChI=1S/C26H30FN7O/c1-4-21(35)24-15(2)31-34(16(24)3)23-13-22(28)30-26-20(11-12-29-23)25(18-7-9-19(27)10-8-18)32-33(26)14-17-5-6-17/h7-13,17,21,30,35H,4-6,14,28H2,1-3H3/b12-11-,22-13-,29-23+
InChIKeyDEQBXDOHCZMUJG-GZWGZYQPSA-N
MW475.57 g/mol
LogP4.93
Rot. Bonds6

About 1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol

1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol (PubChem CID 137305496) has the molecular formula C26H30FN7O and a molecular weight of 475.57 g/mol. Its IUPAC name is 1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
PubChem CID137305496
Molecular FormulaC26H30FN7O
Molecular Weight475.57 g/mol
Exact Mass475.25
IUPAC Name1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(-c2cc(N)[nH]c3c(ccn2)c(-c2ccc(F)cc2)nn3CC2CC2)c1C
InChIInChI=1S/C26H30FN7O/c1-4-21(35)24-15(2)31-34(16(24)3)23-13-22(28)30-26-20(11-12-29-23)25(18-7-9-19(27)10-8-18)32-33(26)14-17-5-6-17/h7-13,17,21,30,35H,4-6,14,28H2,1-3H3/b12-11-,22-13-,29-23+
InChIKeyDEQBXDOHCZMUJG-GZWGZYQPSA-N
XLogP4.93
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol with MolForge

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Related Compounds

ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 137305516
1-[1-[9-amino-3-(4-fluorophenyl)-1-pentyl-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]ethanone
CID 137305549
2-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 137305537
7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine
CID 137305511
2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine
CID 153410151
1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol
CID 159366458
4-[4-(cyclopropylmethoxy)-3,5-dimethylpyrazol-1-yl]-6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidine
CID 159572700
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-[[1-(cyclopropylmethyl)-4-ethyl-3-(4-fluorophenyl)pyrazol-5-yl]methyl]pyrimidine
CID 158868324
2-[1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
CID 146922381
1-(cyclopropylmethyl)-5-(4-fluorophenyl)-4-methylpyrazol-3-amine
CID 134439969
6-[4-chloro-5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]pyrimidin-4-amine
CID 134440827
1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 114349039

Frequently Asked Questions

What is the IUPAC name of 1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol (CID 137305496) is 1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol is CCC(O)c1c(C)nn(-c2cc(N)[nH]c3c(ccn2)c(-c2ccc(F)cc2)nn3CC2CC2)c1C.
What is the InChIKey of 1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The InChIKey is DEQBXDOHCZMUJG-GZWGZYQPSA-N. The full InChI is InChI=1S/C26H30FN7O/c1-4-21(35)24-15(2)31-34(16(24)3)23-13-22(28)30-26-20(11-12-29-23)25(18-7-9-19(27)10-8-18)32-33(26)14-17-5-6-17/h7-13,17,21,30,35H,4-6,14,28H2,1-3H3/b12-11-,22-13-,29-23+.
What are the key properties of 1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol has a molecular weight of 475.57 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 137305496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).