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

C19H18ClN7O — CID 71555838

IUPAC1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN7O/c1-11(12-3-5-14(20)6-4-12)23-19(28)24-17-7-16-15(9-21-17)18(26-25-16)13-8-22-27(2)10-13/h3-11H,1-2H3,(H,25,26)(H2,21,23,24,28)/t11-/m1/s1
InChIKeyOLDIJFFIZZDQOU-LLVKDONJSA-N
MW395.85 g/mol
LogP3.89
Rot. Bonds4

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

1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71555838) has the molecular formula C19H18ClN7O and a molecular weight of 395.85 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID71555838
Molecular FormulaC19H18ClN7O
Molecular Weight395.85 g/mol
Exact Mass395.13
IUPAC Name1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN7O/c1-11(12-3-5-14(20)6-4-12)23-19(28)24-17-7-16-15(9-21-17)18(26-25-16)13-8-22-27(2)10-13/h3-11H,1-2H3,(H,25,26)(H2,21,23,24,28)/t11-/m1/s1
InChIKeyOLDIJFFIZZDQOU-LLVKDONJSA-N
XLogP3.89
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.89
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-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71555838) is 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnn(C)c3)c2cn1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is OLDIJFFIZZDQOU-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18ClN7O/c1-11(12-3-5-14(20)6-4-12)23-19(28)24-17-7-16-15(9-21-17)18(26-25-16)13-8-22-27(2)10-13/h3-11H,1-2H3,(H,25,26)(H2,21,23,24,28)/t11-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 395.85 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71555838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).