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

C16H19N7O2 — CID 118365283

IUPAC1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)NCc3cccnc3N(C)C)ncc12
InChIInChI=1S/C16H19N7O2/c1-23(2)14-10(5-4-6-17-14)8-19-16(24)20-13-7-12-11(9-18-13)15(25-3)22-21-12/h4-7,9H,8H2,1-3H3,(H,21,22)(H2,18,19,20,24)
InChIKeyMWGMAEQNWUMYSC-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.75
Rot. Bonds5

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

1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365283) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118365283
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOc1n[nH]c2cc(NC(=O)NCc3cccnc3N(C)C)ncc12
InChIInChI=1S/C16H19N7O2/c1-23(2)14-10(5-4-6-17-14)8-19-16(24)20-13-7-12-11(9-18-13)15(25-3)22-21-12/h4-7,9H,8H2,1-3H3,(H,21,22)(H2,18,19,20,24)
InChIKeyMWGMAEQNWUMYSC-UHFFFAOYSA-N
XLogP1.75
TPSA108.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365283) is 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is COc1n[nH]c2cc(NC(=O)NCc3cccnc3N(C)C)ncc12.
What is the InChIKey of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is MWGMAEQNWUMYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-23(2)14-10(5-4-6-17-14)8-19-16(24)20-13-7-12-11(9-18-13)15(25-3)22-21-12/h4-7,9H,8H2,1-3H3,(H,21,22)(H2,18,19,20,24).
What are the key properties of 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 341.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-methoxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).