2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H18F3N7O2 — CID 86305129

IUPAC2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CC2(CCN2)C1
InChIInChI=1S/C19H18F3N7O2/c20-19(21,22)13-2-6-29-16(27-13)14(15(23)28-29)17(30)26-11-9-24-4-1-12(11)31-10-7-18(8-10)3-5-25-18/h1-2,4,6,9-10,25H,3,5,7-8H2,(H2,23,28)(H,26,30)
InChIKeyONEWATSZORFRJY-UHFFFAOYSA-N
MW433.39 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86305129) has the molecular formula C19H18F3N7O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86305129
Molecular FormulaC19H18F3N7O2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC Name2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CC2(CCN2)C1
InChIInChI=1S/C19H18F3N7O2/c20-19(21,22)13-2-6-29-16(27-13)14(15(23)28-29)17(30)26-11-9-24-4-1-12(11)31-10-7-18(8-10)3-5-25-18/h1-2,4,6,9-10,25H,3,5,7-8H2,(H2,23,28)(H,26,30)
InChIKeyONEWATSZORFRJY-UHFFFAOYSA-N
XLogP2.25
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-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

Related Compounds

US10774086, Example 4
CID 134551585
US10774086, Example 3
CID 134551596
US10774086, Example 41
CID 134551836
US10774086, Example 38
CID 134551689
5-[(2-cyclopropyloxypyridin-3-yl)amino]-N-(3,3-difluorocyclobutyl)-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441508
N-(3,3-difluorocyclobutyl)-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441585
7-Amino-5-[[2-(trifluoromethoxy)pyridin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441594
5-[(2-cyclobutyloxy-3-pyridinyl)amino]-N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449140
N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449321
N-[(1S,2R)-2-fluorocyclopropyl]-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449328
N-cyclobutyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449336
N-cyclobutyl-5-[[5-fluoro-2-(2-methoxyethoxy)-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449348

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86305129) is 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(C(F)(F)F)nc2c1C(=O)Nc1cnccc1OC1CC2(CCN2)C1.
What is the InChIKey of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ONEWATSZORFRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O2/c20-19(21,22)13-2-6-29-16(27-13)14(15(23)28-29)17(30)26-11-9-24-4-1-12(11)31-10-7-18(8-10)3-5-25-18/h1-2,4,6,9-10,25H,3,5,7-8H2,(H2,23,28)(H,26,30).
What are the key properties of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86305129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).