N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine

C17H13N5 — CID 90803198

IUPACN-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine
SMILESc1ccc2c(c1)C(Nc1nc3ccncc3[nH]1)c1cccn1-2
InChIInChI=1S/C17H13N5/c1-2-5-14-11(4-1)16(15-6-3-9-22(14)15)21-17-19-12-7-8-18-10-13(12)20-17/h1-10,16H,(H2,19,20,21)
InChIKeyCDBQIGLXONCLFC-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.26
Rot. Bonds2

About N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine

N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine (PubChem CID 90803198) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine.

Molecular Properties

Compound NameN-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine
PubChem CID90803198
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC NameN-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine
SMILESc1ccc2c(c1)C(Nc1nc3ccncc3[nH]1)c1cccn1-2
InChIInChI=1S/C17H13N5/c1-2-5-14-11(4-1)16(15-6-3-9-22(14)15)21-17-19-12-7-8-18-10-13(12)20-17/h1-10,16H,(H2,19,20,21)
InChIKeyCDBQIGLXONCLFC-UHFFFAOYSA-N
XLogP3.26
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyridin-3-yl-4H-imidazo[1,5-a]indol-4-amine
CID 121265545
3H-imidazo[4,5-c]pyridin-2-ylhydrazine
CID 13063643
1H-pyrrolo[2,3-b]pyridin-4-yl N-[8-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-yl]carbamate
CID 71147570
N-(3H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 91126804
4-(3H-imidazo[4,5-c]pyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 65263152
N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine
CID 121265553
N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine
CID 154744650
2-(3,4-dihydro-2H-chromen-3-yl)-3H-imidazo[4,5-c]pyridine
CID 55213366
2-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridine
CID 63268921
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one
CID 126934355
2-piperidin-4-yl-3H-imidazo[4,5-c]pyridine
CID 22308651
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683

Frequently Asked Questions

What is the IUPAC name of N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine?
The IUPAC name of N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine (CID 90803198) is N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine.
What is the SMILES notation for N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine?
The canonical SMILES for N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine is c1ccc2c(c1)C(Nc1nc3ccncc3[nH]1)c1cccn1-2.
What is the InChIKey of N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine?
The InChIKey is CDBQIGLXONCLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-2-5-14-11(4-1)16(15-6-3-9-22(14)15)21-17-19-12-7-8-18-10-13(12)20-17/h1-10,16H,(H2,19,20,21).
What are the key properties of N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine?
N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine has a molecular weight of 287.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-imidazo[4,5-c]pyridin-2-yl)-4H-pyrrolo[1,2-a]indol-4-amine is sourced from PubChem (CID 90803198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).