N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

C16H22N6O — CID 56891951

IUPACN-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cnn2cccnc12)C1CC2(CCNCC2)CN1
InChIInChI=1S/C16H22N6O/c23-15(13-8-16(11-20-13)2-5-17-6-3-16)19-9-12-10-21-22-7-1-4-18-14(12)22/h1,4,7,10,13,17,20H,2-3,5-6,8-9,11H2,(H,19,23)
InChIKeyRLKUKHSFGIWDHA-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.08
Rot. Bonds3

About N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56891951) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56891951
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCc1cnn2cccnc12)C1CC2(CCNCC2)CN1
InChIInChI=1S/C16H22N6O/c23-15(13-8-16(11-20-13)2-5-17-6-3-16)19-9-12-10-21-22-7-1-4-18-14(12)22/h1,4,7,10,13,17,20H,2-3,5-6,8-9,11H2,(H,19,23)
InChIKeyRLKUKHSFGIWDHA-UHFFFAOYSA-N
XLogP0.08
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56891951) is N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCc1cnn2cccnc12)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is RLKUKHSFGIWDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c23-15(13-8-16(11-20-13)2-5-17-6-3-16)19-9-12-10-21-22-7-1-4-18-14(12)22/h1,4,7,10,13,17,20H,2-3,5-6,8-9,11H2,(H,19,23).
What are the key properties of N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56891951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).