6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20F3N5O2 — CID 126763817

IUPAC6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOC1
InChIInChI=1S/C21H20F3N5O2/c1-12-17(18-26-8-14(13-2-3-13)10-29(18)28-12)19(30)27-20(6-7-31-11-20)15-4-5-16(25-9-15)21(22,23)24/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,27,30)
InChIKeyZDMAVBWKKIVZLQ-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.37
Rot. Bonds4

About 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763817) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763817
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOC1
InChIInChI=1S/C21H20F3N5O2/c1-12-17(18-26-8-14(13-2-3-13)10-29(18)28-12)19(30)27-20(6-7-31-11-20)15-4-5-16(25-9-15)21(22,23)24/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,27,30)
InChIKeyZDMAVBWKKIVZLQ-UHFFFAOYSA-N
XLogP3.37
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763817) is 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOC1.
What is the InChIKey of 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZDMAVBWKKIVZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-12-17(18-26-8-14(13-2-3-13)10-29(18)28-12)19(30)27-20(6-7-31-11-20)15-4-5-16(25-9-15)21(22,23)24/h4-5,8-10,13H,2-3,6-7,11H2,1H3,(H,27,30).
What are the key properties of 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]oxolan-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).