N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine

C34H43N5 — CID 71452866

IUPACN',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine
SMILESCN(C)CCCNc1c2ccccc2c(-c2nc3ccccn3c2NC(C)(C)CC(C)(C)C)c2ccccc12
InChIInChI=1S/C34H43N5/c1-33(2,3)23-34(4,5)37-32-31(36-28-19-12-13-22-39(28)32)29-24-15-8-10-17-26(24)30(35-20-14-21-38(6)7)27-18-11-9-16-25(27)29/h8-13,15-19,22,35,37H,14,20-21,23H2,1-7H3
InChIKeyNAWRGGLMWOJJLP-UHFFFAOYSA-N
MW521.75 g/mol
LogP8.30
Rot. Bonds9

About N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine

N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine (PubChem CID 71452866) has the molecular formula C34H43N5 and a molecular weight of 521.75 g/mol. Its IUPAC name is N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine
PubChem CID71452866
Molecular FormulaC34H43N5
Molecular Weight521.75 g/mol
Exact Mass521.35
IUPAC NameN',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine
SMILESCN(C)CCCNc1c2ccccc2c(-c2nc3ccccn3c2NC(C)(C)CC(C)(C)C)c2ccccc12
InChIInChI=1S/C34H43N5/c1-33(2,3)23-34(4,5)37-32-31(36-28-19-12-13-22-39(28)32)29-24-15-8-10-17-26(24)30(35-20-14-21-38(6)7)27-18-11-9-16-25(27)29/h8-13,15-19,22,35,37H,14,20-21,23H2,1-7H3
InChIKeyNAWRGGLMWOJJLP-UHFFFAOYSA-N
XLogP8.30
TPSA44.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.75
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine (CID 71452866) is N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine is CN(C)CCCNc1c2ccccc2c(-c2nc3ccccn3c2NC(C)(C)CC(C)(C)C)c2ccccc12.
What is the InChIKey of N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine?
The InChIKey is NAWRGGLMWOJJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5/c1-33(2,3)23-34(4,5)37-32-31(36-28-19-12-13-22-39(28)32)29-24-15-8-10-17-26(24)30(35-20-14-21-38(6)7)27-18-11-9-16-25(27)29/h8-13,15-19,22,35,37H,14,20-21,23H2,1-7H3.
What are the key properties of N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine?
N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine has a molecular weight of 521.75 g/mol, XLogP of 8.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[10-[3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]anthracen-9-yl]propane-1,3-diamine is sourced from PubChem (CID 71452866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).