N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C19H16ClF3N6O — CID 121484074

IUPACN-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1Cn2ncc(-c3cc(C(F)(F)F)ccn3)c2CN1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C19H16ClF3N6O/c1-11-9-29-16(10-28(11)18(30)27-13-3-5-25-17(20)7-13)14(8-26-29)15-6-12(2-4-24-15)19(21,22)23/h2-8,11H,9-10H2,1H3,(H,25,27,30)
InChIKeyNFDFPNGJQIABGH-UHFFFAOYSA-N
MW436.83 g/mol
LogP4.45
Rot. Bonds2

About N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484074) has the molecular formula C19H16ClF3N6O and a molecular weight of 436.83 g/mol. Its IUPAC name is N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484074
Molecular FormulaC19H16ClF3N6O
Molecular Weight436.83 g/mol
Exact Mass436.10
IUPAC NameN-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCC1Cn2ncc(-c3cc(C(F)(F)F)ccn3)c2CN1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C19H16ClF3N6O/c1-11-9-29-16(10-28(11)18(30)27-13-3-5-25-17(20)7-13)14(8-26-29)15-6-12(2-4-24-15)19(21,22)23/h2-8,11H,9-10H2,1H3,(H,25,27,30)
InChIKeyNFDFPNGJQIABGH-UHFFFAOYSA-N
XLogP4.45
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484074) is N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CC1Cn2ncc(-c3cc(C(F)(F)F)ccn3)c2CN1C(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is NFDFPNGJQIABGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N6O/c1-11-9-29-16(10-28(11)18(30)27-13-3-5-25-17(20)7-13)14(8-26-29)15-6-12(2-4-24-15)19(21,22)23/h2-8,11H,9-10H2,1H3,(H,25,27,30).
What are the key properties of N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 436.83 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-pyridinyl)-6-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).