ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate

C26H28FN7O2 — CID 137305516

IUPACethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2cc(N)[nH]c3c(ccn2)c(-c2ccc(F)cc2)nn3CC2CC2)c1C
InChIInChI=1S/C26H28FN7O2/c1-4-36-26(35)23-15(2)31-34(16(23)3)22-13-21(28)30-25-20(11-12-29-22)24(18-7-9-19(27)10-8-18)32-33(25)14-17-5-6-17/h7-13,17,30H,4-6,14,28H2,1-3H3/b12-11-,21-13-,29-22+
InChIKeyLFBWNTFGWLDAEI-LPNONMDWSA-N
MW489.56 g/mol
LogP4.66
Rot. Bonds6

About ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate

ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate (PubChem CID 137305516) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate
PubChem CID137305516
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Nameethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2cc(N)[nH]c3c(ccn2)c(-c2ccc(F)cc2)nn3CC2CC2)c1C
InChIInChI=1S/C26H28FN7O2/c1-4-36-26(35)23-15(2)31-34(16(23)3)22-13-21(28)30-25-20(11-12-29-22)24(18-7-9-19(27)10-8-18)32-33(25)14-17-5-6-17/h7-13,17,30H,4-6,14,28H2,1-3H3/b12-11-,21-13-,29-22+
InChIKeyLFBWNTFGWLDAEI-LPNONMDWSA-N
XLogP4.66
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
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
ethyl 1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-pyridin-4-ylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 160680553
ethyl 1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 134440867
ethyl 1-[6-[[1-(cyclopropylmethyl)-4-ethyl-3-[4-(methylamino)phenyl]pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 134440456
7-(3,5-dimethylpyrazol-1-yl)-3-(4-fluorophenyl)-1-methyl-10H-pyrazolo[5,4-f][1,5]diazonin-9-amine
CID 137305511
ethyl 1-[6-[[4-ethyl-3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 158985140
ethyl 1-[6-[[4-chloro-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxylate
CID 149396498
4-[4-(cyclopropylmethoxy)-3,5-dimethylpyrazol-1-yl]-6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidine
CID 159572700
1-[6-[[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]methyl]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-ol
CID 159366458
2-[1-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-methylpyrazol-5-yl]-6-(3,5-dimethyl-4-methylsulfanylpyrazol-1-yl)pyrimidin-4-amine
CID 153410151

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate?
The IUPAC name of 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) is ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2cc(N)[nH]c3c(ccn2)c(-c2ccc(F)cc2)nn3CC2CC2)c1C.
What is the InChIKey of ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate?
The InChIKey is LFBWNTFGWLDAEI-LPNONMDWSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-4-36-26(35)23-15(2)31-34(16(23)3)22-13-21(28)30-25-20(11-12-29-22)24(18-7-9-19(27)10-8-18)32-33(25)14-17-5-6-17/h7-13,17,30H,4-6,14,28H2,1-3H3/b12-11-,21-13-,29-22+.
What are the key properties of ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate?
ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate has a molecular weight of 489.56 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[9-amino-1-(cyclopropylmethyl)-3-(4-fluorophenyl)-10H-pyrazolo[5,4-f][1,5]diazonin-7-yl]-3,5-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 137305516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).