1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C21H19FN6O — CID 71555313

IUPAC1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4ccc(F)cc4)ncc23)ccn1
InChIInChI=1S/C21H19FN6O/c1-12-9-15(7-8-23-12)20-17-11-24-19(10-18(17)27-28-20)26-21(29)25-13(2)14-3-5-16(22)6-4-14/h3-11,13H,1-2H3,(H,27,28)(H2,24,25,26,29)/t13-/m0/s1
InChIKeyNTCHHCRAGXQOCH-ZDUSSCGKSA-N
MW390.42 g/mol
LogP4.35
Rot. Bonds4

About 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71555313) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID71555313
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4ccc(F)cc4)ncc23)ccn1
InChIInChI=1S/C21H19FN6O/c1-12-9-15(7-8-23-12)20-17-11-24-19(10-18(17)27-28-20)26-21(29)25-13(2)14-3-5-16(22)6-4-14/h3-11,13H,1-2H3,(H,27,28)(H2,24,25,26,29)/t13-/m0/s1
InChIKeyNTCHHCRAGXQOCH-ZDUSSCGKSA-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-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71555313) is 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4ccc(F)cc4)ncc23)ccn1.
What is the InChIKey of 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is NTCHHCRAGXQOCH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-9-15(7-8-23-12)20-17-11-24-19(10-18(17)27-28-20)26-21(29)25-13(2)14-3-5-16(22)6-4-14/h3-11,13H,1-2H3,(H,27,28)(H2,24,25,26,29)/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]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-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71555313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).