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

C22H24F3N5O2 — CID 145294625

IUPAC2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C(C)C)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOCC1
InChIInChI=1S/C22H24F3N5O2/c1-13(2)15-10-27-19-18(14(3)29-30(19)12-15)20(31)28-21(6-8-32-9-7-21)16-4-5-17(26-11-16)22(23,24)25/h4-5,10-13H,6-9H2,1-3H3,(H,28,31)
InChIKeyDGFLQYQQNDKFJF-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.01
Rot. Bonds4

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

2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145294625) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145294625
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C(C)C)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOCC1
InChIInChI=1S/C22H24F3N5O2/c1-13(2)15-10-27-19-18(14(3)29-30(19)12-15)20(31)28-21(6-8-32-9-7-21)16-4-5-17(26-11-16)22(23,24)25/h4-5,10-13H,6-9H2,1-3H3,(H,28,31)
InChIKeyDGFLQYQQNDKFJF-UHFFFAOYSA-N
XLogP4.01
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 129103609
1-ethyl-N-(phenylmethyl)-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo(3,4-b)pyridine-5-carboxamide
CID 9821178
US10774086, Example 25
CID 134551606
US10774086, Example 12
CID 134551927
US10774086, Example 26
CID 139465943
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
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CID 162659419
7-(difluoromethyl)-N-morpholin-4-yl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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7-(difluoromethyl)-N-(4-isopropylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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7-(Difluoromethyl)-5-phenyl-3-[(2-pyridin-3-ylpiperidin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 3601473
3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1004815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145294625) is 2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cc(C(C)C)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)nc2)CCOCC1.
What is the InChIKey of 2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DGFLQYQQNDKFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-13(2)15-10-27-19-18(14(3)29-30(19)12-15)20(31)28-21(6-8-32-9-7-21)16-4-5-17(26-11-16)22(23,24)25/h4-5,10-13H,6-9H2,1-3H3,(H,28,31).
What are the key properties of 2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-N-[4-[6-(trifluoromethyl)-3-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145294625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).