2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide

C23H26N4O3 — CID 70817158

IUPAC2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCOc1ccc2c(c1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1
InChIInChI=1S/C23H26N4O3/c1-13-10-20(25-23-21(13)22(14-4-5-14)26-27(23)2)30-12-19(28)24-18-9-6-15-11-16(29-3)7-8-17(15)18/h7-8,10-11,14,18H,4-6,9,12H2,1-3H3,(H,24,28)/t18-/m0/s1
InChIKeyNHKDZRLVFDFWKF-SFHVURJKSA-N
MW406.49 g/mol
LogP3.35
Rot. Bonds6

About 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide

2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 70817158) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID70817158
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCOc1ccc2c(c1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1
InChIInChI=1S/C23H26N4O3/c1-13-10-20(25-23-21(13)22(14-4-5-14)26-27(23)2)30-12-19(28)24-18-9-6-15-11-16(29-3)7-8-17(15)18/h7-8,10-11,14,18H,4-6,9,12H2,1-3H3,(H,24,28)/t18-/m0/s1
InChIKeyNHKDZRLVFDFWKF-SFHVURJKSA-N
XLogP3.35
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide (CID 70817158) is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide is COc1ccc2c(c1)CC[C@@H]2NC(=O)COc1cc(C)c2c(C3CC3)nn(C)c2n1.
What is the InChIKey of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is NHKDZRLVFDFWKF-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-13-10-20(25-23-21(13)22(14-4-5-14)26-27(23)2)30-12-19(28)24-18-9-6-15-11-16(29-3)7-8-17(15)18/h7-8,10-11,14,18H,4-6,9,12H2,1-3H3,(H,24,28)/t18-/m0/s1.
What are the key properties of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide?
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 70817158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).