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

C24H28F3N7O2 — CID 166635021

IUPAC5-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC[C@@H](Nc2ccn3ncc(C(=O)Nc4ccc(N5CCOCC5)cc4C(F)(F)F)c3n2)C1
InChIInChI=1S/C24H28F3N7O2/c1-32-7-2-3-16(15-32)29-21-6-8-34-22(31-21)18(14-28-34)23(35)30-20-5-4-17(13-19(20)24(25,26)27)33-9-11-36-12-10-33/h4-6,8,13-14,16H,2-3,7,9-12,15H2,1H3,(H,29,31)(H,30,35)/t16-/m1/s1
InChIKeyVWRGSNABEXHYGJ-MRXNPFEDSA-N
MW503.53 g/mol
LogP3.34
Rot. Bonds5

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

5-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166635021) has the molecular formula C24H28F3N7O2 and a molecular weight of 503.53 g/mol. Its IUPAC name is 5-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166635021
Molecular FormulaC24H28F3N7O2
Molecular Weight503.53 g/mol
Exact Mass503.23
IUPAC Name5-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC[C@@H](Nc2ccn3ncc(C(=O)Nc4ccc(N5CCOCC5)cc4C(F)(F)F)c3n2)C1
InChIInChI=1S/C24H28F3N7O2/c1-32-7-2-3-16(15-32)29-21-6-8-34-22(31-21)18(14-28-34)23(35)30-20-5-4-17(13-19(20)24(25,26)27)33-9-11-36-12-10-33/h4-6,8,13-14,16H,2-3,7,9-12,15H2,1H3,(H,29,31)(H,30,35)/t16-/m1/s1
InChIKeyVWRGSNABEXHYGJ-MRXNPFEDSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(azetidin-3-ylamino)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 175765823
5-[methyl-[(3R)-piperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166629360
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 71883058
5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[3-carbamoyl-1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262608
5-(azepan-3-ylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516502
5-[[(3S)-azepan-3-yl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516636
5-[[(3R,5S)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516649
5-[[(3R,5R)-5-fluoropiperidin-3-yl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516681
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide
CID 137493349
5-[(3S)-3-hydroxypiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122516597
N-[3-(difluoromethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-[[(1R)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166733514
5-[[(3R,4R)-3-aminooxan-4-yl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134262594

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166635021) is 5-[[(3R)-1-methylpiperidin-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-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC[C@@H](Nc2ccn3ncc(C(=O)Nc4ccc(N5CCOCC5)cc4C(F)(F)F)c3n2)C1.
What is the InChIKey of 5-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VWRGSNABEXHYGJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H28F3N7O2/c1-32-7-2-3-16(15-32)29-21-6-8-34-22(31-21)18(14-28-34)23(35)30-20-5-4-17(13-19(20)24(25,26)27)33-9-11-36-12-10-33/h4-6,8,13-14,16H,2-3,7,9-12,15H2,1H3,(H,29,31)(H,30,35)/t16-/m1/s1.
What are the key properties of 5-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[(3R)-1-methylpiperidin-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 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-1-methylpiperidin-3-yl]amino]-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166635021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).