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

C19H22N6O — CID 118380987

IUPAC1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C19H22N6O/c1-13(14-7-3-2-4-8-14)21-19(26)22-17-11-16-15(12-20-17)18(24-23-16)25-9-5-6-10-25/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,23,24)(H2,20,21,22,26)/t13-/m1/s1
InChIKeyLMNPVLPTMHQXMA-CYBMUJFWSA-N
MW350.43 g/mol
LogP3.44
Rot. Bonds4

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

1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118380987) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118380987
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C19H22N6O/c1-13(14-7-3-2-4-8-14)21-19(26)22-17-11-16-15(12-20-17)18(24-23-16)25-9-5-6-10-25/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,23,24)(H2,20,21,22,26)/t13-/m1/s1
InChIKeyLMNPVLPTMHQXMA-CYBMUJFWSA-N
XLogP3.44
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118380987) is 1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3)c2cn1)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is LMNPVLPTMHQXMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(14-7-3-2-4-8-14)21-19(26)22-17-11-16-15(12-20-17)18(24-23-16)25-9-5-6-10-25/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,23,24)(H2,20,21,22,26)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 350.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118380987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).