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

C22H24FN5O2 — CID 126644513

IUPAC2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCC[C@H]3OCc3ccccc3F)c2)cn1
InChIInChI=1S/C22H24FN5O2/c1-28-12-16(11-26-28)15-9-17(21(24)25-10-15)22(29)27-19-7-4-8-20(19)30-13-14-5-2-3-6-18(14)23/h2-3,5-6,9-12,19-20H,4,7-8,13H2,1H3,(H2,24,25)(H,27,29)/t19-,20-/m1/s1
InChIKeyNEHBMIAYXIRHIO-WOJBJXKFSA-N
MW409.47 g/mol
LogP3.07
Rot. Bonds6

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

2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 126644513) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID126644513
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCC[C@H]3OCc3ccccc3F)c2)cn1
InChIInChI=1S/C22H24FN5O2/c1-28-12-16(11-26-28)15-9-17(21(24)25-10-15)22(29)27-19-7-4-8-20(19)30-13-14-5-2-3-6-18(14)23/h2-3,5-6,9-12,19-20H,4,7-8,13H2,1H3,(H2,24,25)(H,27,29)/t19-,20-/m1/s1
InChIKeyNEHBMIAYXIRHIO-WOJBJXKFSA-N
XLogP3.07
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
CID 126644284
2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2-phenylphenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
CID 126644350
2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
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-[(1S,2S)-2-(naphthalen-2-ylmethoxy)cyclopentyl]pyridine-3-carboxamide
CID 126644649
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-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-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644080
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-(1H-indol-7-yl)phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 171524959
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 126644513) is 2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CCC[C@H]3OCc3ccccc3F)c2)cn1.
What is the InChIKey of 2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is NEHBMIAYXIRHIO-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-28-12-16(11-26-28)15-9-17(21(24)25-10-15)22(29)27-19-7-4-8-20(19)30-13-14-5-2-3-6-18(14)23/h2-3,5-6,9-12,19-20H,4,7-8,13H2,1H3,(H2,24,25)(H,27,29)/t19-,20-/m1/s1.
What are the key properties of 2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R,2R)-2-[(2-fluorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 126644513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).