1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea

C23H29N5O — CID 56527610

IUPAC1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESCC(C)Cn1ccc2cc(NC(=O)NCc3ccnc(N4CCCC4)c3)ccc21
InChIInChI=1S/C23H29N5O/c1-17(2)16-28-12-8-19-14-20(5-6-21(19)28)26-23(29)25-15-18-7-9-24-22(13-18)27-10-3-4-11-27/h5-9,12-14,17H,3-4,10-11,15-16H2,1-2H3,(H2,25,26,29)
InChIKeyOTRXNDNIGRHDCJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.61
Rot. Bonds6

About 1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea

1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (PubChem CID 56527610) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
PubChem CID56527610
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESCC(C)Cn1ccc2cc(NC(=O)NCc3ccnc(N4CCCC4)c3)ccc21
InChIInChI=1S/C23H29N5O/c1-17(2)16-28-12-8-19-14-20(5-6-21(19)28)26-23(29)25-15-18-7-9-24-22(13-18)27-10-3-4-11-27/h5-9,12-14,17H,3-4,10-11,15-16H2,1-2H3,(H2,25,26,29)
InChIKeyOTRXNDNIGRHDCJ-UHFFFAOYSA-N
XLogP4.61
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea
CID 56528070
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 126767118
1-(4-hydroxy-2-methylpentyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111454262
3-methyl-N-[4-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoylamino]phenyl]butanamide
CID 55698495
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 47050365
1-(2-methylsulfanylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 87003359
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
1-(5-methyl-1H-pyrazol-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 154800962
1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 50830250
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (CID 56527610) is 1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is CC(C)Cn1ccc2cc(NC(=O)NCc3ccnc(N4CCCC4)c3)ccc21.
What is the InChIKey of 1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is OTRXNDNIGRHDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-17(2)16-28-12-8-19-14-20(5-6-21(19)28)26-23(29)25-15-18-7-9-24-22(13-18)27-10-3-4-11-27/h5-9,12-14,17H,3-4,10-11,15-16H2,1-2H3,(H2,25,26,29).
What are the key properties of 1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 391.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 56527610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).