6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide

C20H16F6N6O2 — CID 177050345

IUPAC6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)nc(C(F)(F)F)n1
InChIInChI=1S/C20H16F6N6O2/c1-34-16-9-13(29-18(30-16)20(24,25)26)17(33)28-11-3-2-6-32-14(11)8-12(31-32)10-4-5-27-15(7-10)19(21,22)23/h4-5,7-9,11H,2-3,6H2,1H3,(H,28,33)/t11-/m0/s1
InChIKeyMJUYTFHLDROYAM-NSHDSACASA-N
MW486.38 g/mol
LogP4.05
Rot. Bonds4

About 6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide

6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide (PubChem CID 177050345) has the molecular formula C20H16F6N6O2 and a molecular weight of 486.38 g/mol. Its IUPAC name is 6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide
PubChem CID177050345
Molecular FormulaC20H16F6N6O2
Molecular Weight486.38 g/mol
Exact Mass486.12
IUPAC Name6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)nc(C(F)(F)F)n1
InChIInChI=1S/C20H16F6N6O2/c1-34-16-9-13(29-18(30-16)20(24,25)26)17(33)28-11-3-2-6-32-14(11)8-12(31-32)10-4-5-27-15(7-10)19(21,22)23/h4-5,7-9,11H,2-3,6H2,1H3,(H,28,33)/t11-/m0/s1
InChIKeyMJUYTFHLDROYAM-NSHDSACASA-N
XLogP4.05
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide (CID 177050345) is 6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide is COc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)nc(C(F)(F)F)n1.
What is the InChIKey of 6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide?
The InChIKey is MJUYTFHLDROYAM-NSHDSACASA-N. The full InChI is InChI=1S/C20H16F6N6O2/c1-34-16-9-13(29-18(30-16)20(24,25)26)17(33)28-11-3-2-6-32-14(11)8-12(31-32)10-4-5-27-15(7-10)19(21,22)23/h4-5,7-9,11H,2-3,6H2,1H3,(H,28,33)/t11-/m0/s1.
What are the key properties of 6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide?
6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide has a molecular weight of 486.38 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 177050345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).