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

C24H26F3N5O3 — CID 145338591

IUPACN-[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
SMILESCC(C1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(O)CO3)CC1)C(F)(F)F
InChIInChI=1S/C24H26F3N5O3/c1-14(24(25,26)27)15-3-7-31(8-4-15)20-11-21-16(9-17(33)13-35-21)10-19(20)30-23(34)18-12-29-32-6-2-5-28-22(18)32/h2,5-6,10-12,14-15,17,33H,3-4,7-9,13H2,1H3,(H,30,34)
InChIKeyXHBMJCGDIUTHJV-UHFFFAOYSA-N
MW489.50 g/mol
LogP3.69
Rot. Bonds4

About 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

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 (PubChem CID 145338591) has the molecular formula C24H26F3N5O3 and a molecular weight of 489.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID145338591
Molecular FormulaC24H26F3N5O3
Molecular Weight489.50 g/mol
Exact Mass489.20
IUPAC NameN-[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
SMILESCC(C1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(O)CO3)CC1)C(F)(F)F
InChIInChI=1S/C24H26F3N5O3/c1-14(24(25,26)27)15-3-7-31(8-4-15)20-11-21-16(9-17(33)13-35-21)10-19(20)30-23(34)18-12-29-32-6-2-5-28-22(18)32/h2,5-6,10-12,14-15,17,33H,3-4,7-9,13H2,1H3,(H,30,34)
InChIKeyXHBMJCGDIUTHJV-UHFFFAOYSA-N
XLogP3.69
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145338503
N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145338344
N-[(3R)-3-hydroxy-7-(4-imidazol-1-ylpiperidin-1-yl)-3-methyl-2,4-dihydrochromen-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297787
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
N-[2,2-dimethyl-6-[4-[2,2,2-trifluoro-1-[(4-methoxyphenyl)methylamino]ethyl]piperidin-1-yl]-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284503
N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145338713
N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 152925341
N-[2-(hydroxymethyl)-6-morpholin-4-yl-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284129
N-[2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-1-oxo-6-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidin-1-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354455

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C1CCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(O)CO3)CC1)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is XHBMJCGDIUTHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3/c1-14(24(25,26)27)15-3-7-31(8-4-15)20-11-21-16(9-17(33)13-35-21)10-19(20)30-23(34)18-12-29-32-6-2-5-28-22(18)32/h2,5-6,10-12,14-15,17,33H,3-4,7-9,13H2,1H3,(H,30,34).
What are the key properties of 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?
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 has a molecular weight of 489.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145338591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).