7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H21N5O2 — CID 164635511

IUPAC7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)[C@@H]1N(C(=O)c2ccnc3c(C(N)=O)cnn23)CC12CCC2
InChIInChI=1S/C17H21N5O2/c1-10(2)13-17(5-3-6-17)9-21(13)16(24)12-4-7-19-15-11(14(18)23)8-20-22(12)15/h4,7-8,10,13H,3,5-6,9H2,1-2H3,(H2,18,23)/t13-/m0/s1
InChIKeyURPJTRNVYBPGAO-ZDUSSCGKSA-N
MW327.39 g/mol
LogP1.48
Rot. Bonds3

About 7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164635511) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID164635511
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)[C@@H]1N(C(=O)c2ccnc3c(C(N)=O)cnn23)CC12CCC2
InChIInChI=1S/C17H21N5O2/c1-10(2)13-17(5-3-6-17)9-21(13)16(24)12-4-7-19-15-11(14(18)23)8-20-22(12)15/h4,7-8,10,13H,3,5-6,9H2,1-2H3,(H2,18,23)/t13-/m0/s1
InChIKeyURPJTRNVYBPGAO-ZDUSSCGKSA-N
XLogP1.48
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164635511) is 7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)[C@@H]1N(C(=O)c2ccnc3c(C(N)=O)cnn23)CC12CCC2.
What is the InChIKey of 7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is URPJTRNVYBPGAO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10(2)13-17(5-3-6-17)9-21(13)16(24)12-4-7-19-15-11(14(18)23)8-20-22(12)15/h4,7-8,10,13H,3,5-6,9H2,1-2H3,(H2,18,23)/t13-/m0/s1.
What are the key properties of 7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptane-2-carbonyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164635511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).