5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H28F3N7O2 — CID 166629360

IUPAC5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(c1ccn2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)c2n1)[C@@H]1CCCNC1
InChIInChI=1S/C24H28F3N7O2/c1-32(17-3-2-7-28-14-17)21-6-8-34-22(31-21)18(15-29-34)23(35)30-20-5-4-16(13-19(20)24(25,26)27)33-9-11-36-12-10-33/h4-6,8,13,15,17,28H,2-3,7,9-12,14H2,1H3,(H,30,35)/t17-/m1/s1
InChIKeyVLDSCTXVNGSVBV-QGZVFWFLSA-N
MW503.53 g/mol
LogP3.03
Rot. Bonds5

About 5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166629360) has the molecular formula C24H28F3N7O2 and a molecular weight of 503.53 g/mol. Its IUPAC name is 5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166629360
Molecular FormulaC24H28F3N7O2
Molecular Weight503.53 g/mol
Exact Mass503.23
IUPAC Name5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(c1ccn2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)c2n1)[C@@H]1CCCNC1
InChIInChI=1S/C24H28F3N7O2/c1-32(17-3-2-7-28-14-17)21-6-8-34-22(31-21)18(15-29-34)23(35)30-20-5-4-16(13-19(20)24(25,26)27)33-9-11-36-12-10-33/h4-6,8,13,15,17,28H,2-3,7,9-12,14H2,1H3,(H,30,35)/t17-/m1/s1
InChIKeyVLDSCTXVNGSVBV-QGZVFWFLSA-N
XLogP3.03
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 134551592
CID 134551592
CID 44232914
CID 44232914
CID 44232918
CID 44232918
CID 44233161
CID 44233161
CID 44233162
CID 44233162
CID 44233163
CID 44233163
CID 58056341
CID 58056341
CID 44606133
CID 44606133
CID 44606304
CID 44606304
CID 134551553
CID 134551553
CID 134551589
CID 134551589
CID 134551606
CID 134551606

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166629360) is 5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(c1ccn2ncc(C(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)c2n1)[C@@H]1CCCNC1.
What is the InChIKey of 5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VLDSCTXVNGSVBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28F3N7O2/c1-32(17-3-2-7-28-14-17)21-6-8-34-22(31-21)18(15-29-34)23(35)30-20-5-4-16(13-19(20)24(25,26)27)33-9-11-36-12-10-33/h4-6,8,13,15,17,28H,2-3,7,9-12,14H2,1H3,(H,30,35)/t17-/m1/s1.
What are the key properties of 5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 503.53 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166629360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).