N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H28F3N5O4 — CID 135354501

IUPACN-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@]1(O)COc2cc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)c(NC(=O)c3cnn4cccnc34)cc2C1
InChIInChI=1S/C25H28F3N5O4/c1-23(35)12-15-10-18(31-22(34)17-13-30-33-7-3-6-29-21(17)33)19(11-20(15)37-14-23)32-8-4-16(5-9-32)24(2,36)25(26,27)28/h3,6-7,10-11,13,16,35-36H,4-5,8-9,12,14H2,1-2H3,(H,31,34)/t23-,24-/m1/s1
InChIKeyHCHYQJBILPXLPN-DNQXCXABSA-N
MW519.52 g/mol
LogP3.20
Rot. Bonds4

About N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135354501) has the molecular formula C25H28F3N5O4 and a molecular weight of 519.52 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID135354501
Molecular FormulaC25H28F3N5O4
Molecular Weight519.52 g/mol
Exact Mass519.21
IUPAC NameN-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@]1(O)COc2cc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)c(NC(=O)c3cnn4cccnc34)cc2C1
InChIInChI=1S/C25H28F3N5O4/c1-23(35)12-15-10-18(31-22(34)17-13-30-33-7-3-6-29-21(17)33)19(11-20(15)37-14-23)32-8-4-16(5-9-32)24(2,36)25(26,27)28/h3,6-7,10-11,13,16,35-36H,4-5,8-9,12,14H2,1-2H3,(H,31,34)/t23-,24-/m1/s1
InChIKeyHCHYQJBILPXLPN-DNQXCXABSA-N
XLogP3.20
TPSA112.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.52
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

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CID 129297787
N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 152925341
N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159283697
N-[(2S)-2-(2-hydroxy-2-methylpropyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284777
N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297549
N-[6-(4-acetyl-1,4-diazepan-1-yl)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298193
N-[6-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-(2-hydroxypropan-2-yl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284246
N-[(2S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129283946
N-[3-hydroxy-7-[4-(1,1,1-trifluoropropan-2-yl)piperidin-1-yl]-3,4-dihydro-2H-chromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145338591
N-[(2S)-6-[(4R)-4-hydroxyazepan-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297064
N-[2,2-dimethyl-6-(4-propan-2-ylpiperazin-1-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298333

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135354501) is N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@]1(O)COc2cc(N3CCC([C@@](C)(O)C(F)(F)F)CC3)c(NC(=O)c3cnn4cccnc34)cc2C1.
What is the InChIKey of N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HCHYQJBILPXLPN-DNQXCXABSA-N. The full InChI is InChI=1S/C25H28F3N5O4/c1-23(35)12-15-10-18(31-22(34)17-13-30-33-7-3-6-29-21(17)33)19(11-20(15)37-14-23)32-8-4-16(5-9-32)24(2,36)25(26,27)28/h3,6-7,10-11,13,16,35-36H,4-5,8-9,12,14H2,1-2H3,(H,31,34)/t23-,24-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 519.52 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-hydroxy-3-methyl-7-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]piperidin-1-yl]-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135354501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).