5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H22F3N7O — CID 134272566

IUPAC5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(C4CCNC5(CC4)CC5)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C20H22F3N7O/c1-29-11-15(16(28-29)20(21,22)23)27-18(31)13-10-25-30-9-4-14(26-17(13)30)12-2-5-19(6-7-19)24-8-3-12/h4,9-12,24H,2-3,5-8H2,1H3,(H,27,31)
InChIKeyHQTQKHAFXHBBPD-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.12
Rot. Bonds3

About 5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 134272566) has the molecular formula C20H22F3N7O and a molecular weight of 433.44 g/mol. Its IUPAC name is 5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID134272566
Molecular FormulaC20H22F3N7O
Molecular Weight433.44 g/mol
Exact Mass433.18
IUPAC Name5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(C4CCNC5(CC4)CC5)nc23)c(C(F)(F)F)n1
InChIInChI=1S/C20H22F3N7O/c1-29-11-15(16(28-29)20(21,22)23)27-18(31)13-10-25-30-9-4-14(26-17(13)30)12-2-5-19(6-7-19)24-8-3-12/h4,9-12,24H,2-3,5-8H2,1H3,(H,27,31)
InChIKeyHQTQKHAFXHBBPD-UHFFFAOYSA-N
XLogP3.12
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 134272566) is 5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(C4CCNC5(CC4)CC5)nc23)c(C(F)(F)F)n1.
What is the InChIKey of 5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HQTQKHAFXHBBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N7O/c1-29-11-15(16(28-29)20(21,22)23)27-18(31)13-10-25-30-9-4-14(26-17(13)30)12-2-5-19(6-7-19)24-8-3-12/h4,9-12,24H,2-3,5-8H2,1H3,(H,27,31).
What are the key properties of 5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azaspiro[2.6]nonan-7-yl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 134272566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).