cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone

C23H21FN6O2 — CID 154689207

IUPACcyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone
SMILESCCc1cc(O)c(F)cc1-c1cnc2c(-c3nc4c([nH]3)CN(C(=O)C3CC3)C4)n[nH]c2c1
InChIInChI=1S/C23H21FN6O2/c1-2-11-6-19(31)15(24)7-14(11)13-5-16-20(25-8-13)21(29-28-16)22-26-17-9-30(10-18(17)27-22)23(32)12-3-4-12/h5-8,12,31H,2-4,9-10H2,1H3,(H,26,27)(H,28,29)
InChIKeyKDALKKQNJDOLNA-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.67
Rot. Bonds4

About cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone

cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone (PubChem CID 154689207) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone
PubChem CID154689207
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Namecyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone
SMILESCCc1cc(O)c(F)cc1-c1cnc2c(-c3nc4c([nH]3)CN(C(=O)C3CC3)C4)n[nH]c2c1
InChIInChI=1S/C23H21FN6O2/c1-2-11-6-19(31)15(24)7-14(11)13-5-16-20(25-8-13)21(29-28-16)22-26-17-9-30(10-18(17)27-22)23(32)12-3-4-12/h5-8,12,31H,2-4,9-10H2,1H3,(H,26,27)(H,28,29)
InChIKeyKDALKKQNJDOLNA-UHFFFAOYSA-N
XLogP3.67
TPSA110.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone?
The IUPAC name of cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone (CID 154689207) is cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone?
The canonical SMILES for cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone is CCc1cc(O)c(F)cc1-c1cnc2c(-c3nc4c([nH]3)CN(C(=O)C3CC3)C4)n[nH]c2c1.
What is the InChIKey of cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone?
The InChIKey is KDALKKQNJDOLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-2-11-6-19(31)15(24)7-14(11)13-5-16-20(25-8-13)21(29-28-16)22-26-17-9-30(10-18(17)27-22)23(32)12-3-4-12/h5-8,12,31H,2-4,9-10H2,1H3,(H,26,27)(H,28,29).
What are the key properties of cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone?
cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone has a molecular weight of 432.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]methanone is sourced from PubChem (CID 154689207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).