N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C20H22N10 — CID 169237556

IUPACN-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(-c2ccn(C(C)C)n2)cn2nc(-c3nccn3C)nc(Nc3ncc[nH]3)c12
InChIInChI=1S/C20H22N10/c1-12(2)29-9-5-15(26-29)14-11-30-16(13(14)3)17(25-20-22-6-7-23-20)24-18(27-30)19-21-8-10-28(19)4/h5-12H,1-4H3,(H2,22,23,24,25,27)
InChIKeyZIHRGCQUMMHECT-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.35
Rot. Bonds5

About N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 169237556) has the molecular formula C20H22N10 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID169237556
Molecular FormulaC20H22N10
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC NameN-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(-c2ccn(C(C)C)n2)cn2nc(-c3nccn3C)nc(Nc3ncc[nH]3)c12
InChIInChI=1S/C20H22N10/c1-12(2)29-9-5-15(26-29)14-11-30-16(13(14)3)17(25-20-22-6-7-23-20)24-18(27-30)19-21-8-10-28(19)4/h5-12H,1-4H3,(H2,22,23,24,25,27)
InChIKeyZIHRGCQUMMHECT-UHFFFAOYSA-N
XLogP3.35
TPSA106.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)-N-pyrimidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169238054
N-(4-methoxy-2-pyridinyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169237618
4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 169237956
5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride
CID 176718570
6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169238041
4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane
CID 169238010
6-(6-methoxy-3-pyridinyl)-N-(6-methoxypyrimidin-4-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169238087
5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 176718574
(Z)-3-amino-N'-[5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-phenylprop-2-enimidamide
CID 169238060
N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 163747575
N-(2-methoxyethyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 164585093
5-methyl-2-(1-methylimidazol-2-yl)-N-[2-(1-methylimidazol-4-yl)ethyl]-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 164585173

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 169237556) is N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1c(-c2ccn(C(C)C)n2)cn2nc(-c3nccn3C)nc(Nc3ncc[nH]3)c12.
What is the InChIKey of N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is ZIHRGCQUMMHECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N10/c1-12(2)29-9-5-15(26-29)14-11-30-16(13(14)3)17(25-20-22-6-7-23-20)24-18(27-30)19-21-8-10-28(19)4/h5-12H,1-4H3,(H2,22,23,24,25,27).
What are the key properties of N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 402.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 169237556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).