6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H22F3N5O2 — CID 126763781

IUPAC6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOCC1
InChIInChI=1S/C22H22F3N5O2/c1-13-18(19-27-10-15(14-2-3-14)12-30(19)29-13)20(31)28-21(6-8-32-9-7-21)16-4-5-17(26-11-16)22(23,24)25/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,28,31)
InChIKeyZQCNVEVKLWTZEE-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.76
Rot. Bonds4

About 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763781) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763781
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC Name6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOCC1
InChIInChI=1S/C22H22F3N5O2/c1-13-18(19-27-10-15(14-2-3-14)12-30(19)29-13)20(31)28-21(6-8-32-9-7-21)16-4-5-17(26-11-16)22(23,24)25/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,28,31)
InChIKeyZQCNVEVKLWTZEE-UHFFFAOYSA-N
XLogP3.76
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.76
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-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763781) is 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOCC1.
What is the InChIKey of 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZQCNVEVKLWTZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c1-13-18(19-27-10-15(14-2-3-14)12-30(19)29-13)20(31)28-21(6-8-32-9-7-21)16-4-5-17(26-11-16)22(23,24)25/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,28,31).
What are the key properties of 6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-2-methyl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 3.76, 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-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).