1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide

C26H31N7O3 — CID 172568503

IUPAC1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCOCCn1cnc2c(N3CCOCC3)cc(-n3nc(-c4cccc(C)c4)cc3C(=O)N(C)C)nc21
InChIInChI=1S/C26H31N7O3/c1-18-6-5-7-19(14-18)20-15-22(26(34)30(2)3)33(29-20)23-16-21(31-9-12-36-13-10-31)24-25(28-23)32(17-27-24)8-11-35-4/h5-7,14-17H,8-13H2,1-4H3
InChIKeyWQLNLTHDWRRBHF-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.78
Rot. Bonds7

About 1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide

1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 172568503) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide
PubChem CID172568503
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Name1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCOCCn1cnc2c(N3CCOCC3)cc(-n3nc(-c4cccc(C)c4)cc3C(=O)N(C)C)nc21
InChIInChI=1S/C26H31N7O3/c1-18-6-5-7-19(14-18)20-15-22(26(34)30(2)3)33(29-20)23-16-21(31-9-12-36-13-10-31)24-25(28-23)32(17-27-24)8-11-35-4/h5-7,14-17H,8-13H2,1-4H3
InChIKeyWQLNLTHDWRRBHF-UHFFFAOYSA-N
XLogP2.78
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[1-[3-(cyclopropylmethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazol-5-yl]methanol
CID 172568664
4-[3-(azetidin-3-ylmethyl)-5-[3-(3-methylphenyl)pyrazol-1-yl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568691
ethyl 1-[5-amino-6-[(2-chloroacetyl)-ethylamino]-4-morpholin-4-yl-2-pyridinyl]-3-(3-methylphenyl)pyrazole-5-carboxylate
CID 172568356
2-[5-[3-(3-methylphenyl)-5,6-dihydro-2H-1,2,4-triazin-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]acetonitrile
CID 172568940
5-[5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-3-yl]-1,3-diazinan-2-one
CID 172568603
1-[2-(chloromethyl)-3-ethyl-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-3-(3-methylphenyl)pyrazole-5-carbaldehyde;methoxyethane
CID 172568572
ethyl 1-[6-(ethylamino)-4-morpholin-4-yl-5-nitro-2-pyridinyl]-3-(3-methylphenyl)pyrazole-5-carboxylate
CID 172568578
ethane;1-(2-iodosulfanyl-7-morpholin-4-ylfuro[3,2-b]pyridin-5-yl)-3-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 166156008
N-[(1R)-2-methyl-1-[3-methyl-5-[3-(3-methylphenyl)pyrazol-1-yl]-7-morpholin-4-ylimidazo[4,5-b]pyridin-2-yl]propyl]acetamide
CID 172568525
N-methyl-2-[7-morpholin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]pyrazol-1-yl]imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 172568584
4-[5-chloro-3-[2-(trideuteriomethoxy)ethyl]imidazo[4,5-b]pyridin-7-yl]morpholine
CID 172568490
4-[2-(2-methoxyethyl)-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831967

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide (CID 172568503) is 1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide is COCCn1cnc2c(N3CCOCC3)cc(-n3nc(-c4cccc(C)c4)cc3C(=O)N(C)C)nc21.
What is the InChIKey of 1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is WQLNLTHDWRRBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-18-6-5-7-19(14-18)20-15-22(26(34)30(2)3)33(29-20)23-16-21(31-9-12-36-13-10-31)24-25(28-23)32(17-27-24)8-11-35-4/h5-7,14-17H,8-13H2,1-4H3.
What are the key properties of 1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide?
1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)-7-morpholin-4-ylimidazo[4,5-b]pyridin-5-yl]-N,N-dimethyl-3-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 172568503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).