N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide

C25H34N8O — CID 11465395

IUPACN-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESNC1=NCC(CCCCCCNC(=O)c2cc3c(cn2)[nH]c2ccc(N4CCNCC4)cc23)N1
InChIInChI=1S/C25H34N8O/c26-25-30-15-17(31-25)5-3-1-2-4-8-28-24(34)22-14-20-19-13-18(33-11-9-27-10-12-33)6-7-21(19)32-23(20)16-29-22/h6-7,13-14,16-17,27,32H,1-5,8-12,15H2,(H,28,34)(H3,26,30,31)
InChIKeyQDYQOIVZCHOSLS-UHFFFAOYSA-N
MW462.60 g/mol
LogP2.09
Rot. Bonds9

About N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide

N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 11465395) has the molecular formula C25H34N8O and a molecular weight of 462.60 g/mol. Its IUPAC name is N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID11465395
Molecular FormulaC25H34N8O
Molecular Weight462.60 g/mol
Exact Mass462.29
IUPAC NameN-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESNC1=NCC(CCCCCCNC(=O)c2cc3c(cn2)[nH]c2ccc(N4CCNCC4)cc23)N1
InChIInChI=1S/C25H34N8O/c26-25-30-15-17(31-25)5-3-1-2-4-8-28-24(34)22-14-20-19-13-18(33-11-9-27-10-12-33)6-7-21(19)32-23(20)16-29-22/h6-7,13-14,16-17,27,32H,1-5,8-12,15H2,(H,28,34)(H3,26,30,31)
InChIKeyQDYQOIVZCHOSLS-UHFFFAOYSA-N
XLogP2.09
TPSA123.46 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 52.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide with MolForge

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Related Compounds

N-[2-(2-oxoimidazolidin-4-yl)ethyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 11486606
N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 3009464
N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082465
N-ethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 155586911
4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
CID 109217503
5-(methylamino)-N-[2-(4-piperazin-1-ylphenyl)ethyl]furo[2,3-c]pyridazine-3-carboxamide
CID 168959392
N-[4-[[(1S,2S,3S,5R,6S)-3,5-diamino-2-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]amino]butyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 44547436
N-(3-phenylpropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204611
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
N-[2-(dimethylamino)ethyl]-4-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109207121
N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 11465395) is N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide is NC1=NCC(CCCCCCNC(=O)c2cc3c(cn2)[nH]c2ccc(N4CCNCC4)cc23)N1.
What is the InChIKey of N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is QDYQOIVZCHOSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O/c26-25-30-15-17(31-25)5-3-1-2-4-8-28-24(34)22-14-20-19-13-18(33-11-9-27-10-12-33)6-7-21(19)32-23(20)16-29-22/h6-7,13-14,16-17,27,32H,1-5,8-12,15H2,(H,28,34)(H3,26,30,31).
What are the key properties of N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide?
N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 2.09, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-amino-4,5-dihydro-1H-imidazol-5-yl)hexyl]-6-piperazin-1-yl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 11465395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).