1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea

C19H21N5O3 — CID 123565254

IUPAC1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea
SMILESCOc1n[nH]c2cc(NC(=O)NC(c3ccccc3)C3CCCO3)ncc12
InChIInChI=1S/C19H21N5O3/c1-26-18-13-11-20-16(10-14(13)23-24-18)21-19(25)22-17(15-8-5-9-27-15)12-6-3-2-4-7-12/h2-4,6-7,10-11,15,17H,5,8-9H2,1H3,(H,23,24)(H2,20,21,22,25)
InChIKeyZAUGNPXUHCZFDH-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.01
Rot. Bonds5

About 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea

1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea (PubChem CID 123565254) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea
PubChem CID123565254
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea
SMILESCOc1n[nH]c2cc(NC(=O)NC(c3ccccc3)C3CCCO3)ncc12
InChIInChI=1S/C19H21N5O3/c1-26-18-13-11-20-16(10-14(13)23-24-18)21-19(25)22-17(15-8-5-9-27-15)12-6-3-2-4-7-12/h2-4,6-7,10-11,15,17H,5,8-9H2,1H3,(H,23,24)(H2,20,21,22,25)
InChIKeyZAUGNPXUHCZFDH-UHFFFAOYSA-N
XLogP3.01
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea?
The IUPAC name of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea (CID 123565254) is 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea.
What is the SMILES notation for 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea?
The canonical SMILES for 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea is COc1n[nH]c2cc(NC(=O)NC(c3ccccc3)C3CCCO3)ncc12.
What is the InChIKey of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea?
The InChIKey is ZAUGNPXUHCZFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-26-18-13-11-20-16(10-14(13)23-24-18)21-19(25)22-17(15-8-5-9-27-15)12-6-3-2-4-7-12/h2-4,6-7,10-11,15,17H,5,8-9H2,1H3,(H,23,24)(H2,20,21,22,25).
What are the key properties of 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea?
1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea has a molecular weight of 367.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-[oxolan-2-yl(phenyl)methyl]urea is sourced from PubChem (CID 123565254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).