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

C19H17ClFN5O2 — CID 121484063

IUPACN-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1cc(NC(=O)N2CCn3ncc(-c4ccc(F)cc4)c3C2)cc(Cl)n1
InChIInChI=1S/C19H17ClFN5O2/c1-28-18-9-14(8-17(20)24-18)23-19(27)25-6-7-26-16(11-25)15(10-22-26)12-2-4-13(21)5-3-12/h2-5,8-10H,6-7,11H2,1H3,(H,23,24,27)
InChIKeyKVKCVKLSNAHVNP-UHFFFAOYSA-N
MW401.83 g/mol
LogP3.79
Rot. Bonds3

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

N-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484063) has the molecular formula C19H17ClFN5O2 and a molecular weight of 401.83 g/mol. Its IUPAC name is N-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484063
Molecular FormulaC19H17ClFN5O2
Molecular Weight401.83 g/mol
Exact Mass401.11
IUPAC NameN-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1cc(NC(=O)N2CCn3ncc(-c4ccc(F)cc4)c3C2)cc(Cl)n1
InChIInChI=1S/C19H17ClFN5O2/c1-28-18-9-14(8-17(20)24-18)23-19(27)25-6-7-26-16(11-25)15(10-22-26)12-2-4-13(21)5-3-12/h2-5,8-10H,6-7,11H2,1H3,(H,23,24,27)
InChIKeyKVKCVKLSNAHVNP-UHFFFAOYSA-N
XLogP3.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 53.79
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-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484063) is N-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is COc1cc(NC(=O)N2CCn3ncc(-c4ccc(F)cc4)c3C2)cc(Cl)n1.
What is the InChIKey of N-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is KVKCVKLSNAHVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5O2/c1-28-18-9-14(8-17(20)24-18)23-19(27)25-6-7-26-16(11-25)15(10-22-26)12-2-4-13(21)5-3-12/h2-5,8-10H,6-7,11H2,1H3,(H,23,24,27).
What are the key properties of N-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 401.83 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methoxy-4-pyridinyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).