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

C21H26N6O — CID 118381040

IUPAC1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CCCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C21H26N6O/c1-14(15-8-4-2-5-9-15)23-21(28)25-19-12-18-17(13-22-19)20(27-26-18)24-16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H2,24,26,27)(H2,22,23,25,28)/t14-/m1/s1
InChIKeyMWZWZYUSGISUGZ-CQSZACIVSA-N
MW378.48 g/mol
LogP4.59
Rot. Bonds5

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

1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (PubChem CID 118381040) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
PubChem CID118381040
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CCCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C21H26N6O/c1-14(15-8-4-2-5-9-15)23-21(28)25-19-12-18-17(13-22-19)20(27-26-18)24-16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H2,24,26,27)(H2,22,23,25,28)/t14-/m1/s1
InChIKeyMWZWZYUSGISUGZ-CQSZACIVSA-N
XLogP4.59
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea with MolForge

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Related Compounds

1-[3-[[3-(dimethylamino)cyclobutyl]amino]-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381247
1-[3-(oxolan-2-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380817
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
1-[3-(oxan-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123839512
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
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-(4-hydroxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380878
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185
N-[(3-hydroxycyclohexyl)methyl]-6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 123501107
N,N-dimethyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]acetamide
CID 118365087

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea (CID 118381040) is 1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(NC3CCCCC3)c2cn1)c1ccccc1.
What is the InChIKey of 1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
The InChIKey is MWZWZYUSGISUGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26N6O/c1-14(15-8-4-2-5-9-15)23-21(28)25-19-12-18-17(13-22-19)20(27-26-18)24-16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H2,24,26,27)(H2,22,23,25,28)/t14-/m1/s1.
What are the key properties of 1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea?
1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea has a molecular weight of 378.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 118381040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).