6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide

C18H15F3N6O2 — CID 177050603

IUPAC6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESCOc1cncc(C(=O)N[C@H]2CCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n1
InChIInChI=1S/C18H15F3N6O2/c1-29-16-9-22-8-13(24-16)17(28)25-11-3-5-27-14(11)7-12(26-27)10-2-4-23-15(6-10)18(19,20)21/h2,4,6-9,11H,3,5H2,1H3,(H,25,28)/t11-/m0/s1
InChIKeyKOOGGHIKDWMTLH-NSHDSACASA-N
MW404.35 g/mol
LogP2.64
Rot. Bonds4

About 6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide

6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide (PubChem CID 177050603) has the molecular formula C18H15F3N6O2 and a molecular weight of 404.35 g/mol. Its IUPAC name is 6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide
PubChem CID177050603
Molecular FormulaC18H15F3N6O2
Molecular Weight404.35 g/mol
Exact Mass404.12
IUPAC Name6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide
SMILESCOc1cncc(C(=O)N[C@H]2CCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n1
InChIInChI=1S/C18H15F3N6O2/c1-29-16-9-22-8-13(24-16)17(28)25-11-3-5-27-14(11)7-12(26-27)10-2-4-23-15(6-10)18(19,20)21/h2,4,6-9,11H,3,5H2,1H3,(H,25,28)/t11-/m0/s1
InChIKeyKOOGGHIKDWMTLH-NSHDSACASA-N
XLogP2.64
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide (CID 177050603) is 6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide is COc1cncc(C(=O)N[C@H]2CCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)n1.
What is the InChIKey of 6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is KOOGGHIKDWMTLH-NSHDSACASA-N. The full InChI is InChI=1S/C18H15F3N6O2/c1-29-16-9-22-8-13(24-16)17(28)25-11-3-5-27-14(11)7-12(26-27)10-2-4-23-15(6-10)18(19,20)21/h2,4,6-9,11H,3,5H2,1H3,(H,25,28)/t11-/m0/s1.
What are the key properties of 6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide?
6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 404.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 177050603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).