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

C22H22F3N5O2 — CID 126763793

IUPAC6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)cn2)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)17-5-4-16(11-26-17)22(23,24)25/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,28,31)
InChIKeyZWMQKEBPGVXPCQ-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.76
Rot. Bonds4

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

6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763793) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is 6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763793
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC Name6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)cn2)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)17-5-4-16(11-26-17)22(23,24)25/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,28,31)
InChIKeyZWMQKEBPGVXPCQ-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

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

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Related Compounds

N-cyclopropyl-4-(8-((tetrahydro-2H-pyran-4-yl)methylamino)-6-(1,1,1-trifluoro-2-methylpropan-2-ylamino)imidazo(1,2-b)pyridazin-3-yl)benzamide
CID 66603863
GSK-3|A inhibitor 13
CID 134551592
US10774086, Example 17
CID 134551553
US10774086, Example 32
CID 134551574
US10774086, Example 13
CID 134551589
US10774086, Example 25
CID 134551606
US10774086, Example 31
CID 134551762
US10774086, Example 12
CID 134551927
US10774086, Example 18
CID 134551945
US10774086, Example 30
CID 134551973
US10774086, Example 26
CID 139465943
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763793) is 6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cc(C3CC3)cnc2c1C(=O)NC1(c2ccc(C(F)(F)F)cn2)CCOCC1.
What is the InChIKey of 6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZWMQKEBPGVXPCQ-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)17-5-4-16(11-26-17)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-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-2-methyl-N-[4-[5-(trifluoromethyl)-2-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-[5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).