N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C25H29N11 — CID 121325615

IUPACN,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nc(-c2nc3cnc(N4CCN(C)CC4)cc3n2[C@@H](C)c2cccnc2)cn2c(C)nnc12
InChIInChI=1S/C25H29N11/c1-16(18-6-5-7-27-13-18)36-21-12-22(34-10-8-33(4)9-11-34)28-14-19(21)30-24(36)20-15-35-17(2)31-32-25(35)23(26-3)29-20/h5-7,12-16H,8-11H2,1-4H3,(H,26,29)/t16-/m0/s1
InChIKeyUNZXRKWMYMYRFN-INIZCTEOSA-N
MW483.58 g/mol
LogP2.64
Rot. Bonds5

About N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 121325615) has the molecular formula C25H29N11 and a molecular weight of 483.58 g/mol. Its IUPAC name is N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID121325615
Molecular FormulaC25H29N11
Molecular Weight483.58 g/mol
Exact Mass483.26
IUPAC NameN,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nc(-c2nc3cnc(N4CCN(C)CC4)cc3n2[C@@H](C)c2cccnc2)cn2c(C)nnc12
InChIInChI=1S/C25H29N11/c1-16(18-6-5-7-27-13-18)36-21-12-22(34-10-8-33(4)9-11-34)28-14-19(21)30-24(36)20-15-35-17(2)31-32-25(35)23(26-3)29-20/h5-7,12-16H,8-11H2,1-4H3,(H,26,29)/t16-/m0/s1
InChIKeyUNZXRKWMYMYRFN-INIZCTEOSA-N
XLogP2.64
TPSA105.19 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 121325615) is N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CNc1nc(-c2nc3cnc(N4CCN(C)CC4)cc3n2[C@@H](C)c2cccnc2)cn2c(C)nnc12.
What is the InChIKey of N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is UNZXRKWMYMYRFN-INIZCTEOSA-N. The full InChI is InChI=1S/C25H29N11/c1-16(18-6-5-7-27-13-18)36-21-12-22(34-10-8-33(4)9-11-34)28-14-19(21)30-24(36)20-15-35-17(2)31-32-25(35)23(26-3)29-20/h5-7,12-16H,8-11H2,1-4H3,(H,26,29)/t16-/m0/s1.
What are the key properties of N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 483.58 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-[(1S)-1-pyridin-3-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 121325615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).