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

C19H20FN7O2 — CID 90448296

IUPAC2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(CF)nc2c1C(=O)Nc1cnccc1OC1CC2(CCN2)C1
InChIInChI=1S/C19H20FN7O2/c20-9-11-2-6-27-17(24-11)15(16(21)26-27)18(28)25-13-10-22-4-1-14(13)29-12-7-19(8-12)3-5-23-19/h1-2,4,6,10,12,23H,3,5,7-9H2,(H2,21,26)(H,25,28)
InChIKeyGADGQZNGAURISJ-UHFFFAOYSA-N
MW397.41 g/mol
LogP1.70
Rot. Bonds5

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

2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90448296) has the molecular formula C19H20FN7O2 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90448296
Molecular FormulaC19H20FN7O2
Molecular Weight397.41 g/mol
Exact Mass397.17
IUPAC Name2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2ccc(CF)nc2c1C(=O)Nc1cnccc1OC1CC2(CCN2)C1
InChIInChI=1S/C19H20FN7O2/c20-9-11-2-6-27-17(24-11)15(16(21)26-27)18(28)25-13-10-22-4-1-14(13)29-12-7-19(8-12)3-5-23-19/h1-2,4,6,10,12,23H,3,5,7-9H2,(H2,21,26)(H,25,28)
InChIKeyGADGQZNGAURISJ-UHFFFAOYSA-N
XLogP1.70
TPSA119.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(fluoromethyl)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-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90448296) is 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(fluoromethyl)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-(fluoromethyl)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-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2ccc(CF)nc2c1C(=O)Nc1cnccc1OC1CC2(CCN2)C1.
What is the InChIKey of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GADGQZNGAURISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O2/c20-9-11-2-6-27-17(24-11)15(16(21)26-27)18(28)25-13-10-22-4-1-14(13)29-12-7-19(8-12)3-5-23-19/h1-2,4,6,10,12,23H,3,5,7-9H2,(H2,21,26)(H,25,28).
What are the key properties of 2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[4-(1-azaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-5-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 1.70, 5 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-(fluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90448296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).