2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C22H24BrN5O3 — CID 171524879

IUPAC2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@H]3C[C@H](O)C[C@@H]3OCc3ccc(Br)cc3)c2)cn1
InChIInChI=1S/C22H24BrN5O3/c1-28-11-15(10-26-28)14-6-18(21(24)25-9-14)22(30)27-19-7-17(29)8-20(19)31-12-13-2-4-16(23)5-3-13/h2-6,9-11,17,19-20,29H,7-8,12H2,1H3,(H2,24,25)(H,27,30)/t17-,19-,20-/m0/s1
InChIKeyJYXPIOMDHJLVLB-IHPCNDPISA-N
MW486.37 g/mol
LogP2.67
Rot. Bonds6

About 2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 171524879) has the molecular formula C22H24BrN5O3 and a molecular weight of 486.37 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID171524879
Molecular FormulaC22H24BrN5O3
Molecular Weight486.37 g/mol
Exact Mass485.11
IUPAC Name2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCn1cc(-c2cnc(N)c(C(=O)N[C@H]3C[C@H](O)C[C@@H]3OCc3ccc(Br)cc3)c2)cn1
InChIInChI=1S/C22H24BrN5O3/c1-28-11-15(10-26-28)14-6-18(21(24)25-9-14)22(30)27-19-7-17(29)8-20(19)31-12-13-2-4-16(23)5-3-13/h2-6,9-11,17,19-20,29H,7-8,12H2,1H3,(H2,24,25)(H,27,30)/t17-,19-,20-/m0/s1
InChIKeyJYXPIOMDHJLVLB-IHPCNDPISA-N
XLogP2.67
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.37
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654169
2-amino-N-[(2S)-2-[(4-chlorophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126654151
2-amino-N-[(3S,4R)-4-[(4-bromophenyl)methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(3S,4R)-4-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]oxolan-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)pyridine-3-carboxylic acid
CID 160625728
2-amino-5-(1-methylpyrazol-4-yl)-N-[(2S)-2-phenylmethoxycyclopentyl]pyridine-3-carboxamide
CID 126654149
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-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-[(4-methylpiperidin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644105
2-amino-N-[(3S,4S)-1-ethyl-4-[(3-ethyl-4-methylphenyl)methoxy]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644210
2-amino-5-(1-methylpyrazol-4-yl)-N-[2-[(2,4,5-trifluorophenyl)methoxy]cyclopentyl]pyridine-3-carboxamide
CID 126644284
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-(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-[[(3R)-3,4-dimethylpiperazin-1-yl]methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 126644514

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 171524879) is 2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3C[C@H](O)C[C@@H]3OCc3ccc(Br)cc3)c2)cn1.
What is the InChIKey of 2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is JYXPIOMDHJLVLB-IHPCNDPISA-N. The full InChI is InChI=1S/C22H24BrN5O3/c1-28-11-15(10-26-28)14-6-18(21(24)25-9-14)22(30)27-19-7-17(29)8-20(19)31-12-13-2-4-16(23)5-3-13/h2-6,9-11,17,19-20,29H,7-8,12H2,1H3,(H2,24,25)(H,27,30)/t17-,19-,20-/m0/s1.
What are the key properties of 2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 486.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,2S,4S)-2-[(4-bromophenyl)methoxy]-4-hydroxycyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 171524879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).