2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

C22H22F3N5O2 — CID 126644284

IUPAC2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NC3CCCC3OCc3cc(F)c(F)cc3F)c2)cn1
InChIInChI=1S/C22H22F3N5O2/c1-30-10-14(9-28-30)12-5-15(21(26)27-8-12)22(31)29-19-3-2-4-20(19)32-11-13-6-17(24)18(25)7-16(13)23/h5-10,19-20H,2-4,11H2,1H3,(H2,26,27)(H,29,31)
InChIKeyRINLFOKZGCSKDD-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.35
Rot. Bonds6

About 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide

2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide (PubChem CID 126644284) has the molecular formula C22H22F3N5O2 and a molecular weight of 445.45 g/mol. Its IUPAC name is 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
PubChem CID126644284
Molecular FormulaC22H22F3N5O2
Molecular Weight445.45 g/mol
Exact Mass445.17
IUPAC Name2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)NC3CCCC3OCc3cc(F)c(F)cc3F)c2)cn1
InChIInChI=1S/C22H22F3N5O2/c1-30-10-14(9-28-30)12-5-15(21(26)27-8-12)22(31)29-19-3-2-4-20(19)32-11-13-6-17(24)18(25)7-16(13)23/h5-10,19-20H,2-4,11H2,1H3,(H2,26,27)(H,29,31)
InChIKeyRINLFOKZGCSKDD-UHFFFAOYSA-N
XLogP3.35
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644513
2-amino-N-[(2S)-2-[(4-chlorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654151
2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
CID 126644350
2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654169
2-amino-N-[(1S,2S)-2-[[2-fluoro-4-[4-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126671432
2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-(naphthalen-2-ylmethoxy)cyclopentyl]pyridine-3-carboxamide
CID 126644649
2-amino-N-[(1S,2S)-2-[[4-[4-[(dimethylamino)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644119
2-amino-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644105
2-amino-N-[(1S,2S)-2-[[4-[4-[[(3R)-3,4-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644514
2-amino-N-[(1S,2S)-2-[[4-(2-methyl-1H-indol-5-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 171525056
2-amino-N-[(1S,2S)-2-[[4-[4-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644080

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide (CID 126644284) is 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)NC3CCCC3OCc3cc(F)c(F)cc3F)c2)cn1.
What is the InChIKey of 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
The InChIKey is RINLFOKZGCSKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2/c1-30-10-14(9-28-30)12-5-15(21(26)27-8-12)22(31)29-19-3-2-4-20(19)32-11-13-6-17(24)18(25)7-16(13)23/h5-10,19-20H,2-4,11H2,1H3,(H2,26,27)(H,29,31).
What are the key properties of 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide?
2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 126644284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).