2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide

C24H27N5O2 — CID 67209542

IUPAC2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide
SMILESCc1cc(OCC(=O)NC(C)c2ccc3c(ccn3C)c2)nc2c1c(C1CC1)nn2C
InChIInChI=1S/C24H27N5O2/c1-14-11-21(26-24-22(14)23(16-5-6-16)27-29(24)4)31-13-20(30)25-15(2)17-7-8-19-18(12-17)9-10-28(19)3/h7-12,15-16H,5-6,13H2,1-4H3,(H,25,30)
InChIKeyQBNVNLZYTSCLAT-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.90
Rot. Bonds6

About 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide

2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide (PubChem CID 67209542) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide
PubChem CID67209542
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide
SMILESCc1cc(OCC(=O)NC(C)c2ccc3c(ccn3C)c2)nc2c1c(C1CC1)nn2C
InChIInChI=1S/C24H27N5O2/c1-14-11-21(26-24-22(14)23(16-5-6-16)27-29(24)4)31-13-20(30)25-15(2)17-7-8-19-18(12-17)9-10-28(19)3/h7-12,15-16H,5-6,13H2,1-4H3,(H,25,30)
InChIKeyQBNVNLZYTSCLAT-UHFFFAOYSA-N
XLogP3.90
TPSA73.97 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 ≤ 53.90
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-[1-(1-methylindol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide (CID 67209542) is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide is Cc1cc(OCC(=O)NC(C)c2ccc3c(ccn3C)c2)nc2c1c(C1CC1)nn2C.
What is the InChIKey of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide?
The InChIKey is QBNVNLZYTSCLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-14-11-21(26-24-22(14)23(16-5-6-16)27-29(24)4)31-13-20(30)25-15(2)17-7-8-19-18(12-17)9-10-28(19)3/h7-12,15-16H,5-6,13H2,1-4H3,(H,25,30).
What are the key properties of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide?
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 3.90, 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-[1-(1-methylindol-5-yl)ethyl]acetamide is sourced from PubChem (CID 67209542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).