1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea

C18H19N5O — CID 71555462

IUPAC1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc2n[nH]c(C3CC3)c2cn1)c1ccccc1
InChIInChI=1S/C18H19N5O/c1-11(12-5-3-2-4-6-12)20-18(24)21-16-9-15-14(10-19-16)17(23-22-15)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,22,23)(H2,19,20,21,24)/t11-/m1/s1
InChIKeyUZUUVGAXRATEHN-LLVKDONJSA-N
MW321.38 g/mol
LogP3.72
Rot. Bonds4

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

1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea (PubChem CID 71555462) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
PubChem CID71555462
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc2n[nH]c(C3CC3)c2cn1)c1ccccc1
InChIInChI=1S/C18H19N5O/c1-11(12-5-3-2-4-6-12)20-18(24)21-16-9-15-14(10-19-16)17(23-22-15)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,22,23)(H2,19,20,21,24)/t11-/m1/s1
InChIKeyUZUUVGAXRATEHN-LLVKDONJSA-N
XLogP3.72
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea (CID 71555462) is 1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)Nc1cc2n[nH]c(C3CC3)c2cn1)c1ccccc1.
What is the InChIKey of 1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea?
The InChIKey is UZUUVGAXRATEHN-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11(12-5-3-2-4-6-12)20-18(24)21-16-9-15-14(10-19-16)17(23-22-15)13-7-8-13/h2-6,9-11,13H,7-8H2,1H3,(H,22,23)(H2,19,20,21,24)/t11-/m1/s1.
What are the key properties of 1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea?
1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea has a molecular weight of 321.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-2H-pyrazolo[4,3-c]pyridin-6-yl)-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 71555462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).