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

C19H17N5O3 — CID 118365408

IUPAC1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)c3ccco3)ncc12
InChIInChI=1S/C19H17N5O3/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/h2-11,17H,1H3,(H,23,24)(H2,20,21,22,25)/t17-/m1/s1
InChIKeyFVRKRXNHPFBYBK-QGZVFWFLSA-N
MW363.38 g/mol
LogP3.47
Rot. Bonds5

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

1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365408) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118365408
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)c3ccco3)ncc12
InChIInChI=1S/C19H17N5O3/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/h2-11,17H,1H3,(H,23,24)(H2,20,21,22,25)/t17-/m1/s1
InChIKeyFVRKRXNHPFBYBK-QGZVFWFLSA-N
XLogP3.47
TPSA105.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365408) is 1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is COc1n[nH]c2cc(NC(=O)N[C@H](c3ccccc3)c3ccco3)ncc12.
What is the InChIKey of 1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is FVRKRXNHPFBYBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17N5O3/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/h2-11,17H,1H3,(H,23,24)(H2,20,21,22,25)/t17-/m1/s1.
What are the key properties of 1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 363.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-furan-2-yl(phenyl)methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).