2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide

C26H27N7O2S — CID 118258046

IUPAC2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide
SMILESCc1nn2ccc(OCCNC(=O)C(C)(C)N)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C26H27N7O2S/c1-16-20(19-15-18(9-13-33(19)32-16)35-14-12-30-25(34)26(2,3)27)24-31-21(17-7-5-4-6-8-17)22(36-24)23-28-10-11-29-23/h4-11,13,15H,12,14,27H2,1-3H3,(H,28,29)(H,30,34)
InChIKeyMBKQVBHUHBOQNC-UHFFFAOYSA-N
MW501.62 g/mol
LogP4.06
Rot. Bonds8

About 2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide

2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide (PubChem CID 118258046) has the molecular formula C26H27N7O2S and a molecular weight of 501.62 g/mol. Its IUPAC name is 2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide
PubChem CID118258046
Molecular FormulaC26H27N7O2S
Molecular Weight501.62 g/mol
Exact Mass501.19
IUPAC Name2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide
SMILESCc1nn2ccc(OCCNC(=O)C(C)(C)N)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C26H27N7O2S/c1-16-20(19-15-18(9-13-33(19)32-16)35-14-12-30-25(34)26(2,3)27)24-31-21(17-7-5-4-6-8-17)22(36-24)23-28-10-11-29-23/h4-11,13,15H,12,14,27H2,1-3H3,(H,28,29)(H,30,34)
InChIKeyMBKQVBHUHBOQNC-UHFFFAOYSA-N
XLogP4.06
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.62
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-1,3-thiazole-4-carboxamide
CID 76329005
N-propan-2-yl-2-[3-[7-[4-(1H-pyrazol-4-yl)anilino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]phenoxy]acetamide
CID 124159182
2-[1,4-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 69915180
2-[1,4-dimethyl-3-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 69915193
1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(4-methoxyindol-1-yl)ethanone
CID 71679145
US10065970, Example 298
CID 126700008
US10065970, Example 299
CID 126700009
7-[(6-Ethoxy-1H-indazol-5-yl)amino]-N, N-dimethyl[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 78323063
{7-[(6-Ethoxy-1H-indazol-5-yl)amino][1,3]thiazolo[5,4-d]pyrimidin-2-yl}(piperidin-1-yl)methanone
CID 78323065
Piperidin-1-yl(7-{[6-(propan-2-yloxy)-1H-indazol-5-yl]amino}[1,3]thiazolo[5,4-d]pyrimidin-2-yl)methanone
CID 78323066
N-[2-(Dimethylamino)-2-oxoethyl]-N-methyl-7-{[6-(propan-2-yloxy)-1H-indazol-5-yl]amino}[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 78323386
N-[3-(Dimethylamino)-3-oxopropyl]-7-[(6-ethoxy-1H-indazol-5-yl)amino]-N-methyl[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 78323388

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide (CID 118258046) is 2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide is Cc1nn2ccc(OCCNC(=O)C(C)(C)N)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.
What is the InChIKey of 2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide?
The InChIKey is MBKQVBHUHBOQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2S/c1-16-20(19-15-18(9-13-33(19)32-16)35-14-12-30-25(34)26(2,3)27)24-31-21(17-7-5-4-6-8-17)22(36-24)23-28-10-11-29-23/h4-11,13,15H,12,14,27H2,1-3H3,(H,28,29)(H,30,34).
What are the key properties of 2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide?
2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide has a molecular weight of 501.62 g/mol, XLogP of 4.06, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]-2-methylpropanamide is sourced from PubChem (CID 118258046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).