1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea

C18H21N7O2 — CID 118271686

IUPAC1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
SMILESCCNC(=O)Nc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12
InChIInChI=1S/C18H21N7O2/c1-3-19-17(26)23-16-13-10-20-15(9-14(13)24-25-16)22-18(27)21-11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H2,20,21,22,27)(H3,19,23,24,25,26)
InChIKeyAMZNLKMGGXSAGO-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.98
Rot. Bonds5

About 1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea

1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea (PubChem CID 118271686) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
PubChem CID118271686
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
SMILESCCNC(=O)Nc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12
InChIInChI=1S/C18H21N7O2/c1-3-19-17(26)23-16-13-10-20-15(9-14(13)24-25-16)22-18(27)21-11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H2,20,21,22,27)(H3,19,23,24,25,26)
InChIKeyAMZNLKMGGXSAGO-UHFFFAOYSA-N
XLogP2.98
TPSA123.83 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381040
1-[3-[(6-fluoro-3-pyridinyl)amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381394
N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide
CID 118380874
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185
1-[3-[[3-(dimethylamino)cyclobutyl]amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381247
1-[3-(oxan-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123839512
1-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea;1-[3-(ethylamino)-1-tritylpyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 157271075
1-[3-(oxolan-2-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380817
methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate
CID 118272221
N,N-dimethyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]acetamide
CID 118365087
1-[3-[2-(dimethylamino)ethoxy]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123854456

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea?
The IUPAC name of 1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea (CID 118271686) is 1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea is CCNC(=O)Nc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12.
What is the InChIKey of 1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea?
The InChIKey is AMZNLKMGGXSAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-3-19-17(26)23-16-13-10-20-15(9-14(13)24-25-16)22-18(27)21-11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H2,20,21,22,27)(H3,19,23,24,25,26).
What are the key properties of 1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea?
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea has a molecular weight of 367.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea is sourced from PubChem (CID 118271686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).