N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide

C24H20F3N5O2 — CID 172770575

IUPACN-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnc(-c2c3cnccc3nn2Cc2ccc(OCC(F)(F)F)cc2)c1)C1CC1
InChIInChI=1S/C24H20F3N5O2/c25-24(26,27)14-34-18-5-1-15(2-6-18)13-32-22(19-12-28-9-8-20(19)31-32)21-11-17(7-10-29-21)30-23(33)16-3-4-16/h1-2,5-12,16H,3-4,13-14H2,(H,29,30,33)
InChIKeyMWYFFWWQGXKZNK-UHFFFAOYSA-N
MW467.45 g/mol
LogP4.83
Rot. Bonds7

About N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide

N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide (PubChem CID 172770575) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide
PubChem CID172770575
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC NameN-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnc(-c2c3cnccc3nn2Cc2ccc(OCC(F)(F)F)cc2)c1)C1CC1
InChIInChI=1S/C24H20F3N5O2/c25-24(26,27)14-34-18-5-1-15(2-6-18)13-32-22(19-12-28-9-8-20(19)31-32)21-11-17(7-10-29-21)30-23(33)16-3-4-16/h1-2,5-12,16H,3-4,13-14H2,(H,29,30,33)
InChIKeyMWYFFWWQGXKZNK-UHFFFAOYSA-N
XLogP4.83
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide (CID 172770575) is N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide is O=C(Nc1ccnc(-c2c3cnccc3nn2Cc2ccc(OCC(F)(F)F)cc2)c1)C1CC1.
What is the InChIKey of N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide?
The InChIKey is MWYFFWWQGXKZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c25-24(26,27)14-34-18-5-1-15(2-6-18)13-32-22(19-12-28-9-8-20(19)31-32)21-11-17(7-10-29-21)30-23(33)16-3-4-16/h1-2,5-12,16H,3-4,13-14H2,(H,29,30,33).
What are the key properties of N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide?
N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide has a molecular weight of 467.45 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-3-yl]-4-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 172770575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).