1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

C17H19BrN6O — CID 118272348

IUPAC1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
SMILESCCNc1n[nH]c2c(Br)c(NC(=O)NC(C)c3ccccc3)ncc12
InChIInChI=1S/C17H19BrN6O/c1-3-19-15-12-9-20-16(13(18)14(12)23-24-15)22-17(25)21-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,25)
InChIKeyJDDBADLJKVGIJW-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.03
Rot. Bonds5

About 1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea

1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (PubChem CID 118272348) has the molecular formula C17H19BrN6O and a molecular weight of 403.28 g/mol. Its IUPAC name is 1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
PubChem CID118272348
Molecular FormulaC17H19BrN6O
Molecular Weight403.28 g/mol
Exact Mass402.08
IUPAC Name1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
SMILESCCNc1n[nH]c2c(Br)c(NC(=O)NC(C)c3ccccc3)ncc12
InChIInChI=1S/C17H19BrN6O/c1-3-19-15-12-9-20-16(13(18)14(12)23-24-15)22-17(25)21-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,25)
InChIKeyJDDBADLJKVGIJW-UHFFFAOYSA-N
XLogP4.03
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(ethylamino)-7-fluoro-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 118271504
1-ethyl-3-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]urea
CID 118271686
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-(ethylamino)-4-(hydroxymethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123166578
methyl 2-[[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]carbamoylamino]-2-phenylacetate
CID 118272221
2-methoxy-N-[6-(1-phenylethylcarbamoylamino)-1H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 118271641
1-[3-(difluoromethyl)-2H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123850949
1-[3-(oxan-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea
CID 123839512
1-[3-(oxolan-2-ylmethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118380817
3-amino-3-[6-[[(1R)-1-phenylethyl]carbamoylamino]-2H-pyrazolo[4,3-c]pyridin-3-yl]propanamide
CID 118380886
1-[3-(cyclohexylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 118381040
1-[3-(2-methoxyethylsulfanylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 135293185

Frequently Asked Questions

What is the IUPAC name of 1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea (CID 118272348) is 1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is CCNc1n[nH]c2c(Br)c(NC(=O)NC(C)c3ccccc3)ncc12.
What is the InChIKey of 1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
The InChIKey is JDDBADLJKVGIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6O/c1-3-19-15-12-9-20-16(13(18)14(12)23-24-15)22-17(25)21-10(2)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,25).
What are the key properties of 1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea?
1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea has a molecular weight of 403.28 g/mol, XLogP of 4.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-bromo-3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 118272348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).