N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C22H24F4N4O3 — CID 167414008

IUPACN-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1COc2ccc(C(F)(F)F)cc2C1F)c1cc2n(n1)CCN(C1CCOCC1)C2
InChIInChI=1S/C22H24F4N4O3/c23-20-16-9-13(22(24,25)26)1-2-19(16)33-12-18(20)27-21(31)17-10-15-11-29(5-6-30(15)28-17)14-3-7-32-8-4-14/h1-2,9-10,14,18,20H,3-8,11-12H2,(H,27,31)
InChIKeyNLHUQNXXOBNPMF-UHFFFAOYSA-N
MW468.45 g/mol
LogP3.10
Rot. Bonds3

About N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 167414008) has the molecular formula C22H24F4N4O3 and a molecular weight of 468.45 g/mol. Its IUPAC name is N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID167414008
Molecular FormulaC22H24F4N4O3
Molecular Weight468.45 g/mol
Exact Mass468.18
IUPAC NameN-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NC1COc2ccc(C(F)(F)F)cc2C1F)c1cc2n(n1)CCN(C1CCOCC1)C2
InChIInChI=1S/C22H24F4N4O3/c23-20-16-9-13(22(24,25)26)1-2-19(16)33-12-18(20)27-21(31)17-10-15-11-29(5-6-30(15)28-17)14-3-7-32-8-4-14/h1-2,9-10,14,18,20H,3-8,11-12H2,(H,27,31)
InChIKeyNLHUQNXXOBNPMF-UHFFFAOYSA-N
XLogP3.10
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 177272882
5-[2-(cyclopropylmethoxy)ethyl]-N-[(3S)-4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167414333
5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 167414323
2-cyclopropyl-N-[4-(4-oxopiperidin-1-yl)oxan-3-yl]-4-(trifluoromethyl)benzamide
CID 77445013
N-[(3S)-4-[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
CID 90290977
N-[(4S)-4-(cyclohexylamino)oxan-3-yl]-2-cyclopropyl-4-(trifluoromethyl)benzamide
CID 90290966
bis(2-cyclopropyl-N-(4-pyrrolidin-1-yloxan-3-yl)-4-(trifluoromethyl)benzamide);2-methyl-N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 87377616
2-methylsulfanyl-N-(4-pyrrolidin-1-yloxan-3-yl)-4-(trifluoromethyl)benzamide
CID 154462356
6-ethyl-6-hydroxy-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-7,8-dihydro-5H-pyrazolo[5,1-b][1,3]oxazepine-2-carboxamide
CID 177272907
2-cyclopropyl-N-[(3S)-4-pyrrolidin-1-yloxan-3-yl]-4,6-bis(trifluoromethyl)benzamide
CID 90290997
N-[(1R,2S)-2-pyrrolidin-1-ylcyclopentyl]-2,4-bis(trifluoromethyl)benzamide
CID 58063002
N-[(3R,4R)-4-methoxyoxan-3-yl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136587602

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 167414008) is N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NC1COc2ccc(C(F)(F)F)cc2C1F)c1cc2n(n1)CCN(C1CCOCC1)C2.
What is the InChIKey of N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is NLHUQNXXOBNPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N4O3/c23-20-16-9-13(22(24,25)26)1-2-19(16)33-12-18(20)27-21(31)17-10-15-11-29(5-6-30(15)28-17)14-3-7-32-8-4-14/h1-2,9-10,14,18,20H,3-8,11-12H2,(H,27,31).
What are the key properties of N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 468.45 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 167414008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).