[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone

C25H30N8O — CID 170565753

IUPAC[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(Cc3ccc4[nH]ncc4n3)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C25H30N8O/c34-23(32-13-25(14-32)8-19(9-25)33-15-26-22(30-33)17-1-2-17)31-11-24(12-31)6-16(7-24)5-18-3-4-20-21(28-18)10-27-29-20/h3-4,10,15-17,19H,1-2,5-9,11-14H2,(H,27,29)
InChIKeyJFIDSCFNMKICCZ-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.14
Rot. Bonds4

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 170565753) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID170565753
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESO=C(N1CC2(CC(Cc3ccc4[nH]ncc4n3)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C25H30N8O/c34-23(32-13-25(14-32)8-19(9-25)33-15-26-22(30-33)17-1-2-17)31-11-24(12-31)6-16(7-24)5-18-3-4-20-21(28-18)10-27-29-20/h3-4,10,15-17,19H,1-2,5-9,11-14H2,(H,27,29)
InChIKeyJFIDSCFNMKICCZ-UHFFFAOYSA-N
XLogP3.14
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone (CID 170565753) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone is O=C(N1CC2(CC(Cc3ccc4[nH]ncc4n3)C2)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.
What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is JFIDSCFNMKICCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c34-23(32-13-25(14-32)8-19(9-25)33-15-26-22(30-33)17-1-2-17)31-11-24(12-31)6-16(7-24)5-18-3-4-20-21(28-18)10-27-29-20/h3-4,10,15-17,19H,1-2,5-9,11-14H2,(H,27,29).
What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone?
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 458.57 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-[6-(1H-pyrazolo[4,5-b]pyridin-5-ylmethyl)-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 170565753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).