N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide

C23H25N7 — CID 144555802

IUPACN-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide
SMILESCCN/C(=N\C)c1cn2ccc(-c3cc4ccc(C5=NCCCN5)cc4[nH]3)cc2n1
InChIInChI=1S/C23H25N7/c1-3-25-23(24-2)20-14-30-10-7-16(13-21(30)29-20)18-11-15-5-6-17(12-19(15)28-18)22-26-8-4-9-27-22/h5-7,10-14,28H,3-4,8-9H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyFQQOMMIZNBUYHI-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.21
Rot. Bonds4

About N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide

N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide (PubChem CID 144555802) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide
PubChem CID144555802
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC NameN-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide
SMILESCCN/C(=N\C)c1cn2ccc(-c3cc4ccc(C5=NCCCN5)cc4[nH]3)cc2n1
InChIInChI=1S/C23H25N7/c1-3-25-23(24-2)20-14-30-10-7-16(13-21(30)29-20)18-11-15-5-6-17(12-19(15)28-18)22-26-8-4-9-27-22/h5-7,10-14,28H,3-4,8-9H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyFQQOMMIZNBUYHI-UHFFFAOYSA-N
XLogP3.21
TPSA81.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide?
The IUPAC name of N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide (CID 144555802) is N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide.
What is the SMILES notation for N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide?
The canonical SMILES for N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide is CCN/C(=N\C)c1cn2ccc(-c3cc4ccc(C5=NCCCN5)cc4[nH]3)cc2n1.
What is the InChIKey of N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide?
The InChIKey is FQQOMMIZNBUYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7/c1-3-25-23(24-2)20-14-30-10-7-16(13-21(30)29-20)18-11-15-5-6-17(12-19(15)28-18)22-26-8-4-9-27-22/h5-7,10-14,28H,3-4,8-9H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide?
N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide has a molecular weight of 399.50 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-methyl-7-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine-2-carboximidamide is sourced from PubChem (CID 144555802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).