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

C21H22N10 — CID 169238054

IUPAC5-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
SMILESCc1c(-c2ccn(C(C)C)n2)cn2nc(-c3nccn3C)nc(Nc3ccncn3)c12
InChIInChI=1S/C21H22N10/c1-13(2)30-9-6-16(27-30)15-11-31-18(14(15)3)19(25-17-5-7-22-12-24-17)26-20(28-31)21-23-8-10-29(21)4/h5-13H,1-4H3,(H,22,24,25,26,28)
InChIKeyCWUKICKMTBAAPQ-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.42
Rot. Bonds5

About 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

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 (PubChem CID 169238054) has the molecular formula C21H22N10 and a molecular weight of 414.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID169238054
Molecular FormulaC21H22N10
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name5-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
SMILESCc1c(-c2ccn(C(C)C)n2)cn2nc(-c3nccn3C)nc(Nc3ccncn3)c12
InChIInChI=1S/C21H22N10/c1-13(2)30-9-6-16(27-30)15-11-31-18(14(15)3)19(25-17-5-7-22-12-24-17)26-20(28-31)21-23-8-10-29(21)4/h5-13H,1-4H3,(H,22,24,25,26,28)
InChIKeyCWUKICKMTBAAPQ-UHFFFAOYSA-N
XLogP3.42
TPSA103.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

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
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
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-(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
5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 176718574
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
(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-(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
N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169237778
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2ccn(C(C)C)n2)cn2nc(-c3nccn3C)nc(Nc3ccncn3)c12.
What is the InChIKey of 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?
The InChIKey is CWUKICKMTBAAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N10/c1-13(2)30-9-6-16(27-30)15-11-31-18(14(15)3)19(25-17-5-7-22-12-24-17)26-20(28-31)21-23-8-10-29(21)4/h5-13H,1-4H3,(H,22,24,25,26,28).
What are the key properties of 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?
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 has a molecular weight of 414.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169238054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).