N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C27H27F3N6O — CID 58628891

IUPACN-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCNC1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccn3ncc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C27H27F3N6O/c1-2-31-20-10-13-35(14-11-20)24-9-8-19(27(28,29)30)16-23(24)34-26(37)22-12-15-36-25(33-22)21(17-32-36)18-6-4-3-5-7-18/h3-9,12,15-17,20,31H,2,10-11,13-14H2,1H3,(H,34,37)
InChIKeySUYVZVYURFXGCY-UHFFFAOYSA-N
MW508.55 g/mol
LogP5.25
Rot. Bonds6

About N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628891) has the molecular formula C27H27F3N6O and a molecular weight of 508.55 g/mol. Its IUPAC name is N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628891
Molecular FormulaC27H27F3N6O
Molecular Weight508.55 g/mol
Exact Mass508.22
IUPAC NameN-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCNC1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccn3ncc(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C27H27F3N6O/c1-2-31-20-10-13-35(14-11-20)24-9-8-19(27(28,29)30)16-23(24)34-26(37)22-12-15-36-25(33-22)21(17-32-36)18-6-4-3-5-7-18/h3-9,12,15-17,20,31H,2,10-11,13-14H2,1H3,(H,34,37)
InChIKeySUYVZVYURFXGCY-UHFFFAOYSA-N
XLogP5.25
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.55
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-N-[2-[(3R)-3-(diethylamino)pyrrolidin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628579
tert-butyl N-[1-[2-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]phenyl]pyrrolidin-3-yl]carbamate
CID 76842889
dimethyl (2S)-2-[[1-[2-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]amino]phenyl]piperidin-4-yl]amino]butanedioate
CID 58628363
N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 70921256
3-[4-[2-(4-fluorophenyl)ethyl]phenyl]-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628524
N-(2-piperazin-1-ylphenyl)-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628849
3-(3,4-dichlorophenyl)-N-(2-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628583
N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 151283957
1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-[4-(ethylamino)piperidin-1-yl]phenyl]urea
CID 58628835
3-(3-chlorophenyl)-N-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628701
3-(3-chlorophenyl)-N-[5-(methanesulfonamido)-2-piperazin-1-ylphenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628437
3-(3-chlorophenyl)-N-[2-(2-hydroxyethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628918

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628891) is N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CCNC1CCN(c2ccc(C(F)(F)F)cc2NC(=O)c2ccn3ncc(-c4ccccc4)c3n2)CC1.
What is the InChIKey of N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is SUYVZVYURFXGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N6O/c1-2-31-20-10-13-35(14-11-20)24-9-8-19(27(28,29)30)16-23(24)34-26(37)22-12-15-36-25(33-22)21(17-32-36)18-6-4-3-5-7-18/h3-9,12,15-17,20,31H,2,10-11,13-14H2,1H3,(H,34,37).
What are the key properties of N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 508.55 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylamino)piperidin-1-yl]-5-(trifluoromethyl)phenyl]-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).