1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea

C19H18FN7O — CID 121432317

IUPAC1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2cnn(-c3cnn(C)c3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN7O/c1-12(13-3-5-15(20)6-4-13)24-19(28)25-18-7-14-8-23-27(17(14)10-21-18)16-9-22-26(2)11-16/h3-12H,1-2H3,(H2,21,24,25,28)/t12-/m1/s1
InChIKeyYHAGDEQFYRJSDO-GFCCVEGCSA-N
MW379.40 g/mol
LogP3.18
Rot. Bonds4

About 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea (PubChem CID 121432317) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea
PubChem CID121432317
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2cnn(-c3cnn(C)c3)c2cn1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN7O/c1-12(13-3-5-15(20)6-4-13)24-19(28)25-18-7-14-8-23-27(17(14)10-21-18)16-9-22-26(2)11-16/h3-12H,1-2H3,(H2,21,24,25,28)/t12-/m1/s1
InChIKeyYHAGDEQFYRJSDO-GFCCVEGCSA-N
XLogP3.18
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea (CID 121432317) is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea is C[C@@H](NC(=O)Nc1cc2cnn(-c3cnn(C)c3)c2cn1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea?
The InChIKey is YHAGDEQFYRJSDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-12(13-3-5-15(20)6-4-13)24-19(28)25-18-7-14-8-23-27(17(14)10-21-18)16-9-22-26(2)11-16/h3-12H,1-2H3,(H2,21,24,25,28)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea has a molecular weight of 379.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)pyrazolo[3,4-c]pyridin-5-yl]urea is sourced from PubChem (CID 121432317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).