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

C22H24F3N7O2 — CID 166630990

IUPACN-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(N[C@@H]3CCNC3)nc12
InChIInChI=1S/C22H24F3N7O2/c23-22(24,25)17-11-15(31-7-9-34-10-8-31)1-2-18(17)29-21(33)16-13-27-32-6-4-19(30-20(16)32)28-14-3-5-26-12-14/h1-2,4,6,11,13-14,26H,3,5,7-10,12H2,(H,28,30)(H,29,33)/t14-/m1/s1
InChIKeyJKZAUJQBWYEEJY-CQSZACIVSA-N
MW475.48 g/mol
LogP2.61
Rot. Bonds5

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

N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166630990) has the molecular formula C22H24F3N7O2 and a molecular weight of 475.48 g/mol. Its IUPAC name is N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166630990
Molecular FormulaC22H24F3N7O2
Molecular Weight475.48 g/mol
Exact Mass475.19
IUPAC NameN-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(N[C@@H]3CCNC3)nc12
InChIInChI=1S/C22H24F3N7O2/c23-22(24,25)17-11-15(31-7-9-34-10-8-31)1-2-18(17)29-21(33)16-13-27-32-6-4-19(30-20(16)32)28-14-3-5-26-12-14/h1-2,4,6,11,13-14,26H,3,5,7-10,12H2,(H,28,30)(H,29,33)/t14-/m1/s1
InChIKeyJKZAUJQBWYEEJY-CQSZACIVSA-N
XLogP2.61
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166630990) is N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cnn2ccc(N[C@@H]3CCNC3)nc12.
What is the InChIKey of N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JKZAUJQBWYEEJY-CQSZACIVSA-N. The full InChI is InChI=1S/C22H24F3N7O2/c23-22(24,25)17-11-15(31-7-9-34-10-8-31)1-2-18(17)29-21(33)16-13-27-32-6-4-19(30-20(16)32)28-14-3-5-26-12-14/h1-2,4,6,11,13-14,26H,3,5,7-10,12H2,(H,28,30)(H,29,33)/t14-/m1/s1.
What are the key properties of N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-[[(3R)-pyrrolidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166630990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).