7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine

C24H34N6 — CID 154539773

IUPAC7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCN(CC1=CC=C2NC(C3=C4NC(C)=NC4NC(N)=C3)CC2C1)C1C=CCCC1
InChIInChI=1S/C24H34N6/c1-3-30(18-7-5-4-6-8-18)14-16-9-10-20-17(11-16)12-21(28-20)19-13-22(25)29-24-23(19)26-15(2)27-24/h5,7,9-10,13,17-18,21,24,28-29H,3-4,6,8,11-12,14,25H2,1-2H3,(H,26,27)
InChIKeyRZWHSQXZUFXGSD-UHFFFAOYSA-N
MW406.58 g/mol
LogP2.61
Rot. Bonds5

About 7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine

7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 154539773) has the molecular formula C24H34N6 and a molecular weight of 406.58 g/mol. Its IUPAC name is 7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID154539773
Molecular FormulaC24H34N6
Molecular Weight406.58 g/mol
Exact Mass406.28
IUPAC Name7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCN(CC1=CC=C2NC(C3=C4NC(C)=NC4NC(N)=C3)CC2C1)C1C=CCCC1
InChIInChI=1S/C24H34N6/c1-3-30(18-7-5-4-6-8-18)14-16-9-10-20-17(11-16)12-21(28-20)19-13-22(25)29-24-23(19)26-15(2)27-24/h5,7,9-10,13,17-18,21,24,28-29H,3-4,6,8,11-12,14,25H2,1-2H3,(H,26,27)
InChIKeyRZWHSQXZUFXGSD-UHFFFAOYSA-N
XLogP2.61
TPSA77.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

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CID 164139734
9-[2-(2-methyl-1H-azet-2-yl)-2H-pyrrol-5-yl]-1,8,8a,9a-tetrahydrocarbazol-4-amine
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9-[5-[4-[6-[3-(1,2,4a,4b,8a,9a-Hexahydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-4-[4-(5-cyclohexa-2,4-dien-1-ylcyclohexen-1-yl)cyclohexen-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]cyclohex-2-en-1-yl]cyclohex-3-en-1-yl]-1,2,4b,8a-tetrahydrocarbazole
CID 89563717
12-dodecyl-3,4,5a,6,6a,10a-hexahydro-2H-naphtho[2,3-g]pteridine
CID 123591787
(1Z,3E,5E)-6-[6-cyclopentyl-4-(2-methyl-3a,4-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methylhexa-1,3,5-triene-1,2-diamine
CID 123807633
N-[4-[(2E,3E)-2-[[[(E)-hex-2-enyl]-methylamino]methylidene]-6-methyl-4-piperidin-1-ylhepta-3,5-dienyl]cyclohexyl]-7-methyl-4-methylidene-6H-pyrrolo[1,2-a]pyrimidin-2-amine
CID 139420184
5-but-1-en-2-yl-N-[1-[(3S)-3-methylpyrrolidin-1-yl]ethenyl]-4-[(Z)-1-piperidin-4-ylprop-1-enyl]-1,3-dihydropyrrol-2-imine
CID 174025823
3-[9-[4-[2-(Cyclohexen-1-yl)-6-(1-methylcyclohex-2-en-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]cyclohex-3-en-1-yl]-3,4,4a,8,8a,9a-hexahydrocarbazol-2-yl]-2-methyl-9-(4-methylcyclohexa-1,5-dien-1-yl)-1,2,3,5,6,9a-hexahydrocarbazole
CID 176535025
(1Z,3E,5E)-6-[6-cyclopentyl-4-(2-methyl-3a,4-dihydro-1H-benzimidazol-5-yl)cyclohexa-1,3-dien-1-yl]-3-methylhexa-1,3,5-triene-1,2-diamine
CID 123807634
7-[(E)-2-(3-ethenyl-3,4-dihydro-2H-pyrrol-4-yl)ethenyl]-2,3-dimethyl-3a,6,7,8,9,10,11,11c-octahydroimidazo[4,5-a]phenanthridine
CID 163611883

Frequently Asked Questions

What is the IUPAC name of 7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine (CID 154539773) is 7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine is CCN(CC1=CC=C2NC(C3=C4NC(C)=NC4NC(N)=C3)CC2C1)C1C=CCCC1.
What is the InChIKey of 7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is RZWHSQXZUFXGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6/c1-3-30(18-7-5-4-6-8-18)14-16-9-10-20-17(11-16)12-21(28-20)19-13-22(25)29-24-23(19)26-15(2)27-24/h5,7,9-10,13,17-18,21,24,28-29H,3-4,6,8,11-12,14,25H2,1-2H3,(H,26,27).
What are the key properties of 7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine?
7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 406.58 g/mol, XLogP of 2.61, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[[cyclohex-2-en-1-yl(ethyl)amino]methyl]-2,3,3a,4-tetrahydro-1H-indol-2-yl]-2-methyl-3a,4-dihydro-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 154539773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).