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

C16H15F3N6O2 — CID 86304622

IUPAC2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12
InChIInChI=1S/C16H15F3N6O2/c1-8(2)27-10-3-5-21-7-9(10)22-15(26)12-13(20)24-25-6-4-11(16(17,18)19)23-14(12)25/h3-8H,1-2H3,(H2,20,24)(H,22,26)
InChIKeyIWMQTWHDWOXRGE-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.76
Rot. Bonds4

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

2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86304622) has the molecular formula C16H15F3N6O2 and a molecular weight of 380.33 g/mol. Its IUPAC name is 2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86304622
Molecular FormulaC16H15F3N6O2
Molecular Weight380.33 g/mol
Exact Mass380.12
IUPAC Name2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)Oc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12
InChIInChI=1S/C16H15F3N6O2/c1-8(2)27-10-3-5-21-7-9(10)22-15(26)12-13(20)24-25-6-4-11(16(17,18)19)23-14(12)25/h3-8H,1-2H3,(H2,20,24)(H,22,26)
InChIKeyIWMQTWHDWOXRGE-UHFFFAOYSA-N
XLogP2.76
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86304622) is 2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Oc1ccncc1NC(=O)c1c(N)nn2ccc(C(F)(F)F)nc12.
What is the InChIKey of 2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is IWMQTWHDWOXRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2/c1-8(2)27-10-3-5-21-7-9(10)22-15(26)12-13(20)24-25-6-4-11(16(17,18)19)23-14(12)25/h3-8H,1-2H3,(H2,20,24)(H,22,26).
What are the key properties of 2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 380.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-propan-2-yloxy-3-pyridinyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86304622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).