1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C21H19FN6O2 — CID 118365134

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(OCc3ccncc3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN6O2/c1-13(15-2-4-16(22)5-3-15)25-21(29)26-19-10-18-17(11-24-19)20(28-27-18)30-12-14-6-8-23-9-7-14/h2-11,13H,12H2,1H3,(H,27,28)(H2,24,25,26,29)/t13-/m1/s1
InChIKeyYHWIYGZBDZTHGD-CYBMUJFWSA-N
MW406.42 g/mol
LogP3.95
Rot. Bonds6

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118365134) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118365134
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(OCc3ccncc3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C21H19FN6O2/c1-13(15-2-4-16(22)5-3-15)25-21(29)26-19-10-18-17(11-24-19)20(28-27-18)30-12-14-6-8-23-9-7-14/h2-11,13H,12H2,1H3,(H,27,28)(H2,24,25,26,29)/t13-/m1/s1
InChIKeyYHWIYGZBDZTHGD-CYBMUJFWSA-N
XLogP3.95
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118365134) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(OCc3ccncc3)c2cn1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is YHWIYGZBDZTHGD-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-13(15-2-4-16(22)5-3-15)25-21(29)26-19-10-18-17(11-24-19)20(28-27-18)30-12-14-6-8-23-9-7-14/h2-11,13H,12H2,1H3,(H,27,28)(H2,24,25,26,29)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 406.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118365134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).