2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide

C18H20N6O3 — CID 118271641

IUPAC2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESCOCC(=O)Nc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12
InChIInChI=1S/C18H20N6O3/c1-11(12-6-4-3-5-7-12)20-18(26)21-15-8-14-13(9-19-15)17(24-23-14)22-16(25)10-27-2/h3-9,11H,10H2,1-2H3,(H2,19,20,21,26)(H2,22,23,24,25)
InChIKeyMJBQQQOHPBIIRR-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.43
Rot. Bonds6

About 2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide

2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (PubChem CID 118271641) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
PubChem CID118271641
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
SMILESCOCC(=O)Nc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12
InChIInChI=1S/C18H20N6O3/c1-11(12-6-4-3-5-7-12)20-18(26)21-15-8-14-13(9-19-15)17(24-23-14)22-16(25)10-27-2/h3-9,11H,10H2,1-2H3,(H2,19,20,21,26)(H2,22,23,24,25)
InChIKeyMJBQQQOHPBIIRR-UHFFFAOYSA-N
XLogP2.43
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185
1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381040
1-[(1S)-2-methoxy-1-phenylethyl]-3-[3-(methylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 118381189
N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide
CID 118380874
methyl N-[6-[[(1S)-2-methoxy-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]carbamate
CID 118395363
1-[3-(oxan-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123839512
1-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381394
N,N-dimethyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]acetamide
CID 118365087
1-[3-[[3-(dimethylamino)cyclobutyl]amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381247
1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123854456
1-[3-(oxolan-2-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380817

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The IUPAC name of 2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide (CID 118271641) is 2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide is COCC(=O)Nc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12.
What is the InChIKey of 2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
The InChIKey is MJBQQQOHPBIIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-11(12-6-4-3-5-7-12)20-18(26)21-15-8-14-13(9-19-15)17(24-23-14)22-16(25)10-27-2/h3-9,11H,10H2,1-2H3,(H2,19,20,21,26)(H2,22,23,24,25).
What are the key properties of 2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide?
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide has a molecular weight of 368.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide is sourced from PubChem (CID 118271641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).