(2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide

C21H26ClN5O3 — CID 154702324

IUPAC(2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide
SMILESCOc1cc(CO)c(-c2cn3ccc(NC(=O)[C@H](N)CCCCN)cc3n2)cc1Cl
InChIInChI=1S/C21H26ClN5O3/c1-30-19-8-13(12-28)15(10-16(19)22)18-11-27-7-5-14(9-20(27)26-18)25-21(29)17(24)4-2-3-6-23/h5,7-11,17,28H,2-4,6,12,23-24H2,1H3,(H,25,29)/t17-/m1/s1
InChIKeyQPPDVYPROVAYED-QGZVFWFLSA-N
MW431.92 g/mol
LogP2.55
Rot. Bonds9

About (2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide

(2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide (PubChem CID 154702324) has the molecular formula C21H26ClN5O3 and a molecular weight of 431.92 g/mol. Its IUPAC name is (2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide.

Molecular Properties

Compound Name(2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide
PubChem CID154702324
Molecular FormulaC21H26ClN5O3
Molecular Weight431.92 g/mol
Exact Mass431.17
IUPAC Name(2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide
SMILESCOc1cc(CO)c(-c2cn3ccc(NC(=O)[C@H](N)CCCCN)cc3n2)cc1Cl
InChIInChI=1S/C21H26ClN5O3/c1-30-19-8-13(12-28)15(10-16(19)22)18-11-27-7-5-14(9-20(27)26-18)25-21(29)17(24)4-2-3-6-23/h5,7-11,17,28H,2-4,6,12,23-24H2,1H3,(H,25,29)/t17-/m1/s1
InChIKeyQPPDVYPROVAYED-QGZVFWFLSA-N
XLogP2.55
TPSA127.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-diamino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]hexanamide
CID 135335149
N-[2-[[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]amino]ethyl]acetamide
CID 154702294
(2S,3R)-2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-3-methylpentanamide
CID 135334896
2-amino-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]acetamide
CID 135335412
[2-(7-aminoimidazo[1,2-a]pyrimidin-2-yl)-4-chloro-5-methoxyphenyl]methanol
CID 140914464
[1-[[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 135334990
1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-N-phenylpiperidine-4-carboxamide
CID 140914841
[2-(7-aminoimidazo[1,2-a]pyridin-2-yl)-4-bromo-5-methoxyphenyl]methanol
CID 140914651
[4-chloro-5-methoxy-2-[7-(3-morpholin-4-ylpropyl)imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
CID 148789456
methyl 4-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 140914537
2-(5-chloro-2,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyridin-7-amine
CID 135335373
[4-chloro-5-methoxy-2-[7-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]phenyl]methanol
CID 140914483

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide?
The IUPAC name of (2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide (CID 154702324) is (2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide.
What is the SMILES notation for (2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide?
The canonical SMILES for (2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide is COc1cc(CO)c(-c2cn3ccc(NC(=O)[C@H](N)CCCCN)cc3n2)cc1Cl.
What is the InChIKey of (2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide?
The InChIKey is QPPDVYPROVAYED-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26ClN5O3/c1-30-19-8-13(12-28)15(10-16(19)22)18-11-27-7-5-14(9-20(27)26-18)25-21(29)17(24)4-2-3-6-23/h5,7-11,17,28H,2-4,6,12,23-24H2,1H3,(H,25,29)/t17-/m1/s1.
What are the key properties of (2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide?
(2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide has a molecular weight of 431.92 g/mol, XLogP of 2.55, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-diamino-N-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]hexanamide is sourced from PubChem (CID 154702324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).