1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea

C21H19FN6O — CID 121418016

IUPAC1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCc1cc(-n2ncc3c(F)c(NC(=O)N[C@H](C)c4ccccc4)ncc32)ccn1
InChIInChI=1S/C21H19FN6O/c1-13-10-16(8-9-23-13)28-18-12-24-20(19(22)17(18)11-25-28)27-21(29)26-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H2,24,26,27,29)/t14-/m1/s1
InChIKeyPYKCJGDAEYPGHB-CQSZACIVSA-N
MW390.42 g/mol
LogP4.15
Rot. Bonds4

About 1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea

1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 121418016) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea
PubChem CID121418016
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCc1cc(-n2ncc3c(F)c(NC(=O)N[C@H](C)c4ccccc4)ncc32)ccn1
InChIInChI=1S/C21H19FN6O/c1-13-10-16(8-9-23-13)28-18-12-24-20(19(22)17(18)11-25-28)27-21(29)26-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H2,24,26,27,29)/t14-/m1/s1
InChIKeyPYKCJGDAEYPGHB-CQSZACIVSA-N
XLogP4.15
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea (CID 121418016) is 1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea is Cc1cc(-n2ncc3c(F)c(NC(=O)N[C@H](C)c4ccccc4)ncc32)ccn1.
What is the InChIKey of 1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is PYKCJGDAEYPGHB-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-13-10-16(8-9-23-13)28-18-12-24-20(19(22)17(18)11-25-28)27-21(29)26-14(2)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H2,24,26,27,29)/t14-/m1/s1.
What are the key properties of 1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea?
1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 390.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 121418016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).