1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

C24H23FN6O — CID 121432326

IUPAC1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)N[C@H]4CCC[C@H]4c4ccc(F)cc4)ncc32)ccn1
InChIInChI=1S/C24H23FN6O/c1-15-11-19(9-10-26-15)31-22-14-27-23(12-17(22)13-28-31)30-24(32)29-21-4-2-3-20(21)16-5-7-18(25)8-6-16/h5-14,20-21H,2-4H2,1H3,(H2,27,29,30,32)/t20-,21-/m0/s1
InChIKeyHMLSCMBYBOVFOW-SFTDATJTSA-N
MW430.49 g/mol
LogP4.72
Rot. Bonds4

About 1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea

1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (PubChem CID 121432326) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
PubChem CID121432326
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESCc1cc(-n2ncc3cc(NC(=O)N[C@H]4CCC[C@H]4c4ccc(F)cc4)ncc32)ccn1
InChIInChI=1S/C24H23FN6O/c1-15-11-19(9-10-26-15)31-22-14-27-23(12-17(22)13-28-31)30-24(32)29-21-4-2-3-20(21)16-5-7-18(25)8-6-16/h5-14,20-21H,2-4H2,1H3,(H2,27,29,30,32)/t20-,21-/m0/s1
InChIKeyHMLSCMBYBOVFOW-SFTDATJTSA-N
XLogP4.72
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The IUPAC name of 1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea (CID 121432326) is 1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea.
What is the SMILES notation for 1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The canonical SMILES for 1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is Cc1cc(-n2ncc3cc(NC(=O)N[C@H]4CCC[C@H]4c4ccc(F)cc4)ncc32)ccn1.
What is the InChIKey of 1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The InChIKey is HMLSCMBYBOVFOW-SFTDATJTSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-15-11-19(9-10-26-15)31-22-14-27-23(12-17(22)13-28-31)30-24(32)29-21-4-2-3-20(21)16-5-7-18(25)8-6-16/h5-14,20-21H,2-4H2,1H3,(H2,27,29,30,32)/t20-,21-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea?
1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea has a molecular weight of 430.49 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(4-fluorophenyl)cyclopentyl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea is sourced from PubChem (CID 121432326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).