1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea

C21H19FN6O3 — CID 118365016

IUPAC1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESO=C(Nc1ncc2c(OCc3ccncc3)n[nH]c2c1F)N[C@H](CO)c1ccccc1
InChIInChI=1S/C21H19FN6O3/c22-17-18-15(20(28-27-18)31-12-13-6-8-23-9-7-13)10-24-19(17)26-21(30)25-16(11-29)14-4-2-1-3-5-14/h1-10,16,29H,11-12H2,(H,27,28)(H2,24,25,26,30)/t16-/m1/s1
InChIKeySSFTVLDDLPYLON-MRXNPFEDSA-N
MW422.42 g/mol
LogP2.93
Rot. Bonds7

About 1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea

1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea (PubChem CID 118365016) has the molecular formula C21H19FN6O3 and a molecular weight of 422.42 g/mol. Its IUPAC name is 1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
PubChem CID118365016
Molecular FormulaC21H19FN6O3
Molecular Weight422.42 g/mol
Exact Mass422.15
IUPAC Name1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESO=C(Nc1ncc2c(OCc3ccncc3)n[nH]c2c1F)N[C@H](CO)c1ccccc1
InChIInChI=1S/C21H19FN6O3/c22-17-18-15(20(28-27-18)31-12-13-6-8-23-9-7-13)10-24-19(17)26-21(30)25-16(11-29)14-4-2-1-3-5-14/h1-10,16,29H,11-12H2,(H,27,28)(H2,24,25,26,30)/t16-/m1/s1
InChIKeySSFTVLDDLPYLON-MRXNPFEDSA-N
XLogP2.93
TPSA125.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea (CID 118365016) is 1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea is O=C(Nc1ncc2c(OCc3ccncc3)n[nH]c2c1F)N[C@H](CO)c1ccccc1.
What is the InChIKey of 1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is SSFTVLDDLPYLON-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19FN6O3/c22-17-18-15(20(28-27-18)31-12-13-6-8-23-9-7-13)10-24-19(17)26-21(30)25-16(11-29)14-4-2-1-3-5-14/h1-10,16,29H,11-12H2,(H,27,28)(H2,24,25,26,30)/t16-/m1/s1.
What are the key properties of 1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 422.42 g/mol, XLogP of 2.93, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 118365016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).