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

C19H20N8O2 — CID 118365149

IUPAC1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(Cn3ccnn3)c12
InChIInChI=1S/C19H20N8O2/c1-12(13-6-4-3-5-7-13)21-19(28)23-16-10-14-17(18(29-2)25-24-14)15(22-16)11-27-9-8-20-26-27/h3-10,12H,11H2,1-2H3,(H,24,25)(H2,21,22,23,28)/t12-/m1/s1
InChIKeyKNIOLISVKZUOKR-GFCCVEGCSA-N
MW392.42 g/mol
LogP2.49
Rot. Bonds6

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

1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 118365149) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
PubChem CID118365149
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESCOc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(Cn3ccnn3)c12
InChIInChI=1S/C19H20N8O2/c1-12(13-6-4-3-5-7-13)21-19(28)23-16-10-14-17(18(29-2)25-24-14)15(22-16)11-27-9-8-20-26-27/h3-10,12H,11H2,1-2H3,(H,24,25)(H2,21,22,23,28)/t12-/m1/s1
InChIKeyKNIOLISVKZUOKR-GFCCVEGCSA-N
XLogP2.49
TPSA122.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (CID 118365149) is 1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)nc(Cn3ccnn3)c12.
What is the InChIKey of 1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is KNIOLISVKZUOKR-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-12(13-6-4-3-5-7-13)21-19(28)23-16-10-14-17(18(29-2)25-24-14)15(22-16)11-27-9-8-20-26-27/h3-10,12H,11H2,1-2H3,(H,24,25)(H2,21,22,23,28)/t12-/m1/s1.
What are the key properties of 1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 392.42 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(triazol-1-ylmethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 118365149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).