N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine

C24H28N8 — CID 58300148

IUPACN-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine
SMILESNC1CCN(c2ccc(Nc3ncc4c5ccccc5n(C5CCCC5)c4n3)nn2)CC1
InChIInChI=1S/C24H28N8/c25-16-11-13-31(14-12-16)22-10-9-21(29-30-22)27-24-26-15-19-18-7-3-4-8-20(18)32(23(19)28-24)17-5-1-2-6-17/h3-4,7-10,15-17H,1-2,5-6,11-14,25H2,(H,26,27,28,29)
InChIKeyMPUULNLPAQHDGK-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.16
Rot. Bonds4

About N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine

N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine (PubChem CID 58300148) has the molecular formula C24H28N8 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine.

Molecular Properties

Compound NameN-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine
PubChem CID58300148
Molecular FormulaC24H28N8
Molecular Weight428.54 g/mol
Exact Mass428.24
IUPAC NameN-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine
SMILESNC1CCN(c2ccc(Nc3ncc4c5ccccc5n(C5CCCC5)c4n3)nn2)CC1
InChIInChI=1S/C24H28N8/c25-16-11-13-31(14-12-16)22-10-9-21(29-30-22)27-24-26-15-19-18-7-3-4-8-20(18)32(23(19)28-24)17-5-1-2-6-17/h3-4,7-10,15-17H,1-2,5-6,11-14,25H2,(H,26,27,28,29)
InChIKeyMPUULNLPAQHDGK-UHFFFAOYSA-N
XLogP4.16
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine with MolForge

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Related Compounds

8-cyclohexyl-N-[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 143829618
8-cyclopentyl-N-[6-[4-(diethylamino)piperidin-1-yl]pyridazin-3-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299725
N-[5-(4-aminopiperidin-1-yl)pyrazin-2-yl]-8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299911
1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]pyridazin-3-yl]-3-(dimethylamino)piperidin-4-ol
CID 58300066
N-[1-[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]pyridazin-3-yl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 58300201
N-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]pyridazin-3-yl]-8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300000
cis-(1R,2S)-2-[5-[(6-piperazin-1-ylpyridazin-3-yl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]cyclopentan-1-ol
CID 58300014
trans-(1S,2S)-2-[5-[(6-piperazin-1-ylpyridazin-3-yl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]cyclopentan-1-ol
CID 58299556
tert-butyl 4-[6-[(8-cyclopentyl-10-oxo-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-5-yl)amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 58299615
5-[[6-[4-(dimethylamino)piperidin-1-yl]pyridazin-3-yl]amino]-8-(4,4-dimethylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,12-pentaen-10-one
CID 58299962
2-[[6-[(8-cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]pyridazin-3-yl]-methylamino]ethanol
CID 58299839
8-cyclohexyl-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299868

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine?
The IUPAC name of N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine (CID 58300148) is N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine.
What is the SMILES notation for N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine?
The canonical SMILES for N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine is NC1CCN(c2ccc(Nc3ncc4c5ccccc5n(C5CCCC5)c4n3)nn2)CC1.
What is the InChIKey of N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine?
The InChIKey is MPUULNLPAQHDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8/c25-16-11-13-31(14-12-16)22-10-9-21(29-30-22)27-24-26-15-19-18-7-3-4-8-20(18)32(23(19)28-24)17-5-1-2-6-17/h3-4,7-10,15-17H,1-2,5-6,11-14,25H2,(H,26,27,28,29).
What are the key properties of N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine?
N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine has a molecular weight of 428.54 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-aminopiperidin-1-yl)pyridazin-3-yl]-9-cyclopentylpyrimido[4,5-b]indol-2-amine is sourced from PubChem (CID 58300148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).