2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde

C25H27N3O3 — CID 172805284

IUPAC2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCOc1cc(C=O)cn2nc(-c3cc4ccc(C(C)(C)O)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C25H27N3O3/c1-15-23(26-28-13-17(14-29)9-22(31-4)24(15)28)21-10-18-7-8-19(25(2,3)30)11-20(18)27(21)12-16-5-6-16/h7-11,13-14,16,30H,5-6,12H2,1-4H3
InChIKeyRKQDNHSRXSVXEF-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.72
Rot. Bonds6

About 2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde

2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 172805284) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde
PubChem CID172805284
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde
SMILESCOc1cc(C=O)cn2nc(-c3cc4ccc(C(C)(C)O)cc4n3CC3CC3)c(C)c12
InChIInChI=1S/C25H27N3O3/c1-15-23(26-28-13-17(14-29)9-22(31-4)24(15)28)21-10-18-7-8-19(25(2,3)30)11-20(18)27(21)12-16-5-6-16/h7-11,13-14,16,30H,5-6,12H2,1-4H3
InChIKeyRKQDNHSRXSVXEF-UHFFFAOYSA-N
XLogP4.72
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[(7R)-2-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptan-7-yl]carbamate
CID 156828779
5-azatricyclo[4.2.1.03,9]nonan-5-yl-[2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
CID 156829633
2-[1-(cyclopropylmethyl)-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbaldehyde
CID 150110904
tert-butyl N-[(3R,5R)-1-[2-[6-acetyl-1-(cyclopropylmethyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbonyl]-5-fluoropiperidin-3-yl]carbamate
CID 156829433
[2-[1-(cyclopropylmethyl)-6-[3-(hydroxymethyl)phenyl]indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]-(3-iminopiperidin-1-yl)methanone
CID 156828918
2-[1-(cyclopropylmethyl)-6-[(6-fluoro-3-pyridinyl)oxy]indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbaldehyde
CID 175115257
2-[1-(cyclopropylmethyl)-6-methoxyindol-2-yl]-3-(2-hydroxyethyl)-4-methoxy-1-benzofuran-6-carbaldehyde
CID 175355257
2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carboxylic acid
CID 86340186
1-[3-[2-[6-(3-aminopiperidine-1-carbonyl)-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]azetidin-1-yl]ethanone
CID 166709749
[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-[2-[1-(cyclopropylmethyl)-6-(2-hydroxy-2-methylpropyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 166493402
[2-[6-[2-cyclopropylethyl(methyl)amino]-1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-(1-methyl-3-azabicyclo[4.1.1]octan-3-yl)methanone
CID 166764463
1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)pyrrolo[2,3-b]pyridine-2-carbaldehyde
CID 170338397

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde (CID 172805284) is 2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde is COc1cc(C=O)cn2nc(-c3cc4ccc(C(C)(C)O)cc4n3CC3CC3)c(C)c12.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is RKQDNHSRXSVXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-15-23(26-28-13-17(14-29)9-22(31-4)24(15)28)21-10-18-7-8-19(25(2,3)30)11-20(18)27(21)12-16-5-6-16/h7-11,13-14,16,30H,5-6,12H2,1-4H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde?
2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 417.51 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-6-(2-hydroxypropan-2-yl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 172805284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).