1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea

C20H20N6O — CID 47024839

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C20H20N6O/c27-20(21-10-8-16-14-22-18-5-2-1-4-17(16)18)24-13-15-6-7-19(23-12-15)26-11-3-9-25-26/h1-7,9,11-12,14,22H,8,10,13H2,(H2,21,24,27)
InChIKeyAVFONONZYPRDKY-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.79
Rot. Bonds6

About 1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea

1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea (PubChem CID 47024839) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea
PubChem CID47024839
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C20H20N6O/c27-20(21-10-8-16-14-22-18-5-2-1-4-17(16)18)24-13-15-6-7-19(23-12-15)26-11-3-9-25-26/h1-7,9,11-12,14,22H,8,10,13H2,(H2,21,24,27)
InChIKeyAVFONONZYPRDKY-UHFFFAOYSA-N
XLogP2.79
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55924498
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]urea
CID 86875693
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
1-[2-(1-benzothiophen-3-yl)ethyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 87007320
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
N-[2-(1H-indol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110853433
N-[2-(1H-indol-3-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24512620

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea (CID 47024839) is 1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea is O=C(NCCc1c[nH]c2ccccc12)NCc1ccc(-n2cccn2)nc1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is AVFONONZYPRDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(21-10-8-16-14-22-18-5-2-1-4-17(16)18)24-13-15-6-7-19(23-12-15)26-11-3-9-25-26/h1-7,9,11-12,14,22H,8,10,13H2,(H2,21,24,27).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea?
1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 360.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 47024839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).