2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol

C23H28N6O — CID 146965384

IUPAC2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol
SMILESCc1cc2cnc(Cc3ccnc(-c4cnn(CC(C)(C)O)c4)n3)cc2n1C(C)C
InChIInChI=1S/C23H28N6O/c1-15(2)29-16(3)8-17-11-25-20(10-21(17)29)9-19-6-7-24-22(27-19)18-12-26-28(13-18)14-23(4,5)30/h6-8,10-13,15,30H,9,14H2,1-5H3
InChIKeyALJWSXGKIYLKRW-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.94
Rot. Bonds6

About 2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol

2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 146965384) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol
PubChem CID146965384
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol
SMILESCc1cc2cnc(Cc3ccnc(-c4cnn(CC(C)(C)O)c4)n3)cc2n1C(C)C
InChIInChI=1S/C23H28N6O/c1-15(2)29-16(3)8-17-11-25-20(10-21(17)29)9-19-6-7-24-22(27-19)18-12-26-28(13-18)14-23(4,5)30/h6-8,10-13,15,30H,9,14H2,1-5H3
InChIKeyALJWSXGKIYLKRW-UHFFFAOYSA-N
XLogP3.94
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine
CID 95732733
4-[4-[[2-(hydroxymethyl)-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-yl]cyclohex-3-en-1-one
CID 161391941
1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166535069
2-methyl-1-[4-[2-[1-(oxan-2-yl)-5-propan-2-yloxyindazol-3-yl]pyrimidin-4-yl]pyrazol-1-yl]propan-2-ol
CID 166099324
2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol
CID 90183463
N-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
CID 118662262
1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol
CID 158073574
[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-phenylimidazo[4,5-c]pyridin-2-yl]methanol
CID 149134316
2-(1-ethylpyrazol-4-yl)-N-methylpyrimidin-4-amine
CID 103570484
2-methyl-1-[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]propan-2-ol
CID 155893903
[6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]methyl]-1-(2-phenylethyl)imidazo[4,5-c]pyridin-2-yl]methanol
CID 159093417
3-[8-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazol-2-yl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 58203695

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol (CID 146965384) is 2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol is Cc1cc2cnc(Cc3ccnc(-c4cnn(CC(C)(C)O)c4)n3)cc2n1C(C)C.
What is the InChIKey of 2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is ALJWSXGKIYLKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-15(2)29-16(3)8-17-11-25-20(10-21(17)29)9-19-6-7-24-22(27-19)18-12-26-28(13-18)14-23(4,5)30/h6-8,10-13,15,30H,9,14H2,1-5H3.
What are the key properties of 2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol?
2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 404.52 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-[(2-methyl-1-propan-2-ylpyrrolo[3,2-c]pyridin-6-yl)methyl]pyrimidin-2-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 146965384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).