N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide

C24H29N5 — CID 169209640

IUPACN'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide
SMILESCc1cc(C2CC2)c(CC2CNC[C@H]2c2ccc(/C(N)=N/N)cc2)c2cc[nH]c12
InChIInChI=1S/C24H29N5/c1-14-10-20(15-2-3-15)21(19-8-9-28-23(14)19)11-18-12-27-13-22(18)16-4-6-17(7-5-16)24(25)29-26/h4-10,15,18,22,27-28H,2-3,11-13,26H2,1H3,(H2,25,29)/t18?,22-/m0/s1
InChIKeyURVBOPRIOYMKHC-YSYXNDDBSA-N
MW387.53 g/mol
LogP3.48
Rot. Bonds5

About N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide

N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide (PubChem CID 169209640) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide
PubChem CID169209640
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC NameN'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide
SMILESCc1cc(C2CC2)c(CC2CNC[C@H]2c2ccc(/C(N)=N/N)cc2)c2cc[nH]c12
InChIInChI=1S/C24H29N5/c1-14-10-20(15-2-3-15)21(19-8-9-28-23(14)19)11-18-12-27-13-22(18)16-4-6-17(7-5-16)24(25)29-26/h4-10,15,18,22,27-28H,2-3,11-13,26H2,1H3,(H2,25,29)/t18?,22-/m0/s1
InChIKeyURVBOPRIOYMKHC-YSYXNDDBSA-N
XLogP3.48
TPSA92.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide 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

N,N'-diamino-4-[(3R,4S)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-1-ethylpyrrolidin-3-yl]benzenecarboximidamide
CID 169209644
4-[(3R,4R)-4-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-(2-fluoroethyl)piperidin-3-yl]benzoic acid
CID 169209489
5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole
CID 131994973
4-[(6S)-7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-2,2-difluoro-7-azaspiro[3.5]nonan-6-yl]-N'-diazenylbenzenecarboximidamide
CID 168994210
4-[(1R,2S,5S)-5-(cyclopropylmethoxy)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]cyclohexyl]benzoic acid
CID 169209611
4-[(3S)-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-2-azabicyclo[2.2.1]heptan-3-yl]benzamide
CID 176842068
5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole
CID 174346951
4-[1-[(5-chloro-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
CID 90466305
4-[(2S,4R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-hydroxypiperidin-2-yl]benzoic acid
CID 121362634
7-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]-7-azaspiro[3.5]nonane-2-carbonitrile
CID 170975589
3-[(2R)-1-[(5,7-dimethyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzamide
CID 124673699
4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
CID 174347628

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide?
The IUPAC name of N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide (CID 169209640) is N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide.
What is the SMILES notation for N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide?
The canonical SMILES for N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide is Cc1cc(C2CC2)c(CC2CNC[C@H]2c2ccc(/C(N)=N/N)cc2)c2cc[nH]c12.
What is the InChIKey of N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide?
The InChIKey is URVBOPRIOYMKHC-YSYXNDDBSA-N. The full InChI is InChI=1S/C24H29N5/c1-14-10-20(15-2-3-15)21(19-8-9-28-23(14)19)11-18-12-27-13-22(18)16-4-6-17(7-5-16)24(25)29-26/h4-10,15,18,22,27-28H,2-3,11-13,26H2,1H3,(H2,25,29)/t18?,22-/m0/s1.
What are the key properties of N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide?
N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide has a molecular weight of 387.53 g/mol, XLogP of 3.48, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-[(3R)-4-[(5-cyclopropyl-7-methyl-1H-indol-4-yl)methyl]pyrrolidin-3-yl]benzenecarboximidamide is sourced from PubChem (CID 169209640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).