1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea

C15H17N7O3 — CID 71915147

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
SMILESO=C(NCCc1cn2ccccc2n1)NCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C15H17N7O3/c23-15(17-6-8-21-11-13(9-18-21)22(24)25)16-5-4-12-10-20-7-2-1-3-14(20)19-12/h1-3,7,9-11H,4-6,8H2,(H2,16,17,23)
InChIKeySXSKHSOFUHXNOQ-UHFFFAOYSA-N
MW343.35 g/mol
LogP0.98
Rot. Bonds7

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea (PubChem CID 71915147) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
PubChem CID71915147
Molecular FormulaC15H17N7O3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
SMILESO=C(NCCc1cn2ccccc2n1)NCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C15H17N7O3/c23-15(17-6-8-21-11-13(9-18-21)22(24)25)16-5-4-12-10-20-7-2-1-3-14(20)19-12/h1-3,7,9-11H,4-6,8H2,(H2,16,17,23)
InChIKeySXSKHSOFUHXNOQ-UHFFFAOYSA-N
XLogP0.98
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea
CID 31686010
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitrobenzamide
CID 25429006
5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide
CID 25429884
1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 110936525
1-(furan-2-ylmethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
CID 71968332
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 31124643
N-[2-(4-nitropyrazol-1-yl)ethyl]-4-phenylbenzamide
CID 19281844
(2E,4E)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)hexa-2,4-dienamide
CID 32831562
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55922211
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 36505486
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 16962560

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea (CID 71915147) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea is O=C(NCCc1cn2ccccc2n1)NCCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea?
The InChIKey is SXSKHSOFUHXNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c23-15(17-6-8-21-11-13(9-18-21)22(24)25)16-5-4-12-10-20-7-2-1-3-14(20)19-12/h1-3,7,9-11H,4-6,8H2,(H2,16,17,23).
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea has a molecular weight of 343.35 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 71915147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).