N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

C22H24N6O2 — CID 170577482

IUPACN-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1cccc(N2CCC3(COC3)C2)n1
InChIInChI=1S/C22H24N6O2/c1-14(29)24-18-9-17-16(10-23-18)21(15-5-6-15)26-28(17)20-4-2-3-19(25-20)27-8-7-22(11-27)12-30-13-22/h2-4,9-10,15H,5-8,11-13H2,1H3,(H,23,24,29)
InChIKeyZKVRACDDBSUXRL-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.88
Rot. Bonds4

About N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577482) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577482
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1cccc(N2CCC3(COC3)C2)n1
InChIInChI=1S/C22H24N6O2/c1-14(29)24-18-9-17-16(10-23-18)21(15-5-6-15)26-28(17)20-4-2-3-19(25-20)27-8-7-22(11-27)12-30-13-22/h2-4,9-10,15H,5-8,11-13H2,1H3,(H,23,24,29)
InChIKeyZKVRACDDBSUXRL-UHFFFAOYSA-N
XLogP2.88
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577482) is N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(C1CC1)nn2-c1cccc(N2CCC3(COC3)C2)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is ZKVRACDDBSUXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14(29)24-18-9-17-16(10-23-18)21(15-5-6-15)26-28(17)20-4-2-3-19(25-20)27-8-7-22(11-27)12-30-13-22/h2-4,9-10,15H,5-8,11-13H2,1H3,(H,23,24,29).
What are the key properties of N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[6-(2-oxa-7-azaspiro[3.4]octan-7-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).