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

C22H24N6O2 — CID 67209282

IUPAC2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide
SMILESCc1cc(OCC(=O)NC(C)c2cnc3[nH]ccc3c2)nc2c1c(C1CC1)nn2C
InChIInChI=1S/C22H24N6O2/c1-12-8-18(26-22-19(12)20(14-4-5-14)27-28(22)3)30-11-17(29)25-13(2)16-9-15-6-7-23-21(15)24-10-16/h6-10,13-14H,4-5,11H2,1-3H3,(H,23,24)(H,25,29)
InChIKeyHLDWPRBQSIKKSV-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.29
Rot. Bonds6

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

2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide (PubChem CID 67209282) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide
PubChem CID67209282
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide
SMILESCc1cc(OCC(=O)NC(C)c2cnc3[nH]ccc3c2)nc2c1c(C1CC1)nn2C
InChIInChI=1S/C22H24N6O2/c1-12-8-18(26-22-19(12)20(14-4-5-14)27-28(22)3)30-11-17(29)25-13(2)16-9-15-6-7-23-21(15)24-10-16/h6-10,13-14H,4-5,11H2,1-3H3,(H,23,24)(H,25,29)
InChIKeyHLDWPRBQSIKKSV-UHFFFAOYSA-N
XLogP3.29
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
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-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide (CID 67209282) is 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1H-pyrrolo[2,3-b]pyridin-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-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide is Cc1cc(OCC(=O)NC(C)c2cnc3[nH]ccc3c2)nc2c1c(C1CC1)nn2C.
What is the InChIKey of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide?
The InChIKey is HLDWPRBQSIKKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-12-8-18(26-22-19(12)20(14-4-5-14)27-28(22)3)30-11-17(29)25-13(2)16-9-15-6-7-23-21(15)24-10-16/h6-10,13-14H,4-5,11H2,1-3H3,(H,23,24)(H,25,29).
What are the key properties of 2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide?
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 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-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]acetamide is sourced from PubChem (CID 67209282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).