1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea

C21H19FN6O — CID 71555091

IUPAC1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCc1cc(-c2n[nH]c3c(F)c(NC(=O)N[C@H](C)c4ccccc4)ncc23)ccn1
InChIInChI=1S/C21H19FN6O/c1-12-10-15(8-9-23-12)18-16-11-24-20(17(22)19(16)28-27-18)26-21(29)25-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,27,28)(H2,24,25,26,29)/t13-/m1/s1
InChIKeyBFJPZAFZUSMZJO-CYBMUJFWSA-N
MW390.42 g/mol
LogP4.35
Rot. Bonds4

About 1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea

1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 71555091) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
PubChem CID71555091
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCc1cc(-c2n[nH]c3c(F)c(NC(=O)N[C@H](C)c4ccccc4)ncc23)ccn1
InChIInChI=1S/C21H19FN6O/c1-12-10-15(8-9-23-12)18-16-11-24-20(17(22)19(16)28-27-18)26-21(29)25-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,27,28)(H2,24,25,26,29)/t13-/m1/s1
InChIKeyBFJPZAFZUSMZJO-CYBMUJFWSA-N
XLogP4.35
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (CID 71555091) is 1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is Cc1cc(-c2n[nH]c3c(F)c(NC(=O)N[C@H](C)c4ccccc4)ncc23)ccn1.
What is the InChIKey of 1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is BFJPZAFZUSMZJO-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-10-15(8-9-23-12)18-16-11-24-20(17(22)19(16)28-27-18)26-21(29)25-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,27,28)(H2,24,25,26,29)/t13-/m1/s1.
What are the key properties of 1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 390.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 71555091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).