1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C22H23FN8O — CID 118380869

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4nn(C)cc4C3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN8O/c1-13(14-3-5-16(23)6-4-14)25-22(32)26-20-9-19-17(10-24-20)21(28-27-19)31-8-7-18-15(12-31)11-30(2)29-18/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,27,28)(H2,24,25,26,32)/t13-/m1/s1
InChIKeyRZFZKOBAVYXNRT-CYBMUJFWSA-N
MW434.48 g/mol
LogP3.28
Rot. Bonds4

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118380869) has the molecular formula C22H23FN8O and a molecular weight of 434.48 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118380869
Molecular FormulaC22H23FN8O
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4nn(C)cc4C3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C22H23FN8O/c1-13(14-3-5-16(23)6-4-14)25-22(32)26-20-9-19-17(10-24-20)21(28-27-19)31-8-7-18-15(12-31)11-30(2)29-18/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,27,28)(H2,24,25,26,32)/t13-/m1/s1
InChIKeyRZFZKOBAVYXNRT-CYBMUJFWSA-N
XLogP3.28
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118380869) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4nn(C)cc4C3)c2cn1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is RZFZKOBAVYXNRT-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23FN8O/c1-13(14-3-5-16(23)6-4-14)25-22(32)26-20-9-19-17(10-24-20)21(28-27-19)31-8-7-18-15(12-31)11-30(2)29-18/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,27,28)(H2,24,25,26,32)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 434.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118380869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).