3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine

C24H36N6 — CID 134295169

IUPAC3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine
SMILESCc1cc(-c2cn(C3[C@H]4CC(N5CCN(C)CC5)C[C@@H]34)c(CC(C)C)n2)cnc1N
InChIInChI=1S/C24H36N6/c1-15(2)9-22-27-21(17-10-16(3)24(25)26-13-17)14-30(22)23-19-11-18(12-20(19)23)29-7-5-28(4)6-8-29/h10,13-15,18-20,23H,5-9,11-12H2,1-4H3,(H2,25,26)/t18?,19-,20+,23?
InChIKeyAPRUDYOPEHPREZ-LRARCCGNSA-N
MW408.59 g/mol
LogP3.23
Rot. Bonds5

About 3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine

3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 134295169) has the molecular formula C24H36N6 and a molecular weight of 408.59 g/mol. Its IUPAC name is 3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine
PubChem CID134295169
Molecular FormulaC24H36N6
Molecular Weight408.59 g/mol
Exact Mass408.30
IUPAC Name3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine
SMILESCc1cc(-c2cn(C3[C@H]4CC(N5CCN(C)CC5)C[C@@H]34)c(CC(C)C)n2)cnc1N
InChIInChI=1S/C24H36N6/c1-15(2)9-22-27-21(17-10-16(3)24(25)26-13-17)14-30(22)23-19-11-18(12-20(19)23)29-7-5-28(4)6-8-29/h10,13-15,18-20,23H,5-9,11-12H2,1-4H3,(H2,25,26)/t18?,19-,20+,23?
InChIKeyAPRUDYOPEHPREZ-LRARCCGNSA-N
XLogP3.23
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine with MolForge

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Related Compounds

4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
L-790070
CID 9806182
VK-19911
CID 9797240
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
2,4-Disubstituted Pyrimidine 2b
CID 5329415
2,4-Disubstituted Pyrimidine 2c
CID 5329416
2,4-Disubstituted Pyrimidine 4b
CID 5329431
2,4-Disubstituted Pyrimidine 4c
CID 5329432
2,4-Disubstituted Pyrimidine 4e
CID 5329434
2,4-Disubstituted Pyrimidine 4f
CID 5329435
4-[5-(4-Fluoro-phenyl)-3-(2,2,6,6-tetramethyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 10475737
Pyridine, 3-(1-methyl-1H-imidazol-4-yl)-
CID 11344157

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine (CID 134295169) is 3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine is Cc1cc(-c2cn(C3[C@H]4CC(N5CCN(C)CC5)C[C@@H]34)c(CC(C)C)n2)cnc1N.
What is the InChIKey of 3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is APRUDYOPEHPREZ-LRARCCGNSA-N. The full InChI is InChI=1S/C24H36N6/c1-15(2)9-22-27-21(17-10-16(3)24(25)26-13-17)14-30(22)23-19-11-18(12-20(19)23)29-7-5-28(4)6-8-29/h10,13-15,18-20,23H,5-9,11-12H2,1-4H3,(H2,25,26)/t18?,19-,20+,23?.
What are the key properties of 3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine?
3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 408.59 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 134295169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).