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

C20H17F4N5O2 — CID 177050001

IUPAC5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)c(F)cn1
InChIInChI=1S/C20H17F4N5O2/c1-31-18-8-12(13(21)10-26-18)19(30)27-14-3-2-6-29-16(14)9-15(28-29)11-4-5-25-17(7-11)20(22,23)24/h4-5,7-10,14H,2-3,6H2,1H3,(H,27,30)/t14-/m0/s1
InChIKeyCMOJWVKFUNMNBJ-AWEZNQCLSA-N
MW435.38 g/mol
LogP3.77
Rot. Bonds4

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

5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide (PubChem CID 177050001) has the molecular formula C20H17F4N5O2 and a molecular weight of 435.38 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide
PubChem CID177050001
Molecular FormulaC20H17F4N5O2
Molecular Weight435.38 g/mol
Exact Mass435.13
IUPAC Name5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)c(F)cn1
InChIInChI=1S/C20H17F4N5O2/c1-31-18-8-12(13(21)10-26-18)19(30)27-14-3-2-6-29-16(14)9-15(28-29)11-4-5-25-17(7-11)20(22,23)24/h4-5,7-10,14H,2-3,6H2,1H3,(H,27,30)/t14-/m0/s1
InChIKeyCMOJWVKFUNMNBJ-AWEZNQCLSA-N
XLogP3.77
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide (CID 177050001) is 5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide is COc1cc(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)c(F)cn1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide?
The InChIKey is CMOJWVKFUNMNBJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H17F4N5O2/c1-31-18-8-12(13(21)10-26-18)19(30)27-14-3-2-6-29-16(14)9-15(28-29)11-4-5-25-17(7-11)20(22,23)24/h4-5,7-10,14H,2-3,6H2,1H3,(H,27,30)/t14-/m0/s1.
What are the key properties of 5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide?
5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide has a molecular weight of 435.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 177050001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).