[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone

C22H28N8O3 — CID 134324520

IUPAC[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
SMILESCn1cc(-c2cc(N3CCOCC3)c3[nH]c(C(=O)N4CC(N5CCOCC5)C4)nc3n2)cn1
InChIInChI=1S/C22H28N8O3/c1-27-12-15(11-23-27)17-10-18(29-4-8-33-9-5-29)19-20(24-17)26-21(25-19)22(31)30-13-16(14-30)28-2-6-32-7-3-28/h10-12,16H,2-9,13-14H2,1H3,(H,24,25,26)
InChIKeyXHTNFSICVCNRFM-UHFFFAOYSA-N
MW452.52 g/mol
LogP0.35
Rot. Bonds4

About [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone

[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone (PubChem CID 134324520) has the molecular formula C22H28N8O3 and a molecular weight of 452.52 g/mol. Its IUPAC name is [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
PubChem CID134324520
Molecular FormulaC22H28N8O3
Molecular Weight452.52 g/mol
Exact Mass452.23
IUPAC Name[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
SMILESCn1cc(-c2cc(N3CCOCC3)c3[nH]c(C(=O)N4CC(N5CCOCC5)C4)nc3n2)cn1
InChIInChI=1S/C22H28N8O3/c1-27-12-15(11-23-27)17-10-18(29-4-8-33-9-5-29)19-20(24-17)26-21(25-19)22(31)30-13-16(14-30)28-2-6-32-7-3-28/h10-12,16H,2-9,13-14H2,1H3,(H,24,25,26)
InChIKeyXHTNFSICVCNRFM-UHFFFAOYSA-N
XLogP0.35
TPSA104.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone with MolForge

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Related Compounds

ethyl 5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridine-2-carboxylate
CID 122597592
[6-chloro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 134324525
[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-phenylpiperazin-1-yl)methanone
CID 122589764
N-[1-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carbonyl]piperidin-4-yl]acetamide
CID 134324543
(4-morpholin-4-ylpiperidin-1-yl)-[6-morpholin-4-yl-2-(1H-pyrazol-4-yl)-7H-purin-8-yl]methanone
CID 134324512
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purine-8-carboxamide
CID 134324434
[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 122560717
N-ethyl-2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-7H-purine-8-carboxamide
CID 134324536
4-[4-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-2-yl]morpholine
CID 39756782
methyl 1-[4-[[4-(1-methylpyrazol-4-yl)-6-morpholin-4-ylpyrimidin-2-yl]amino]phenyl]cyclobutane-1-carboxylate
CID 59362265
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 44824807
4-[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]morpholine
CID 175750570

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The IUPAC name of [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone (CID 134324520) is [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone.
What is the SMILES notation for [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The canonical SMILES for [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone is Cn1cc(-c2cc(N3CCOCC3)c3[nH]c(C(=O)N4CC(N5CCOCC5)C4)nc3n2)cn1.
What is the InChIKey of [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
The InChIKey is XHTNFSICVCNRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O3/c1-27-12-15(11-23-27)17-10-18(29-4-8-33-9-5-29)19-20(24-17)26-21(25-19)22(31)30-13-16(14-30)28-2-6-32-7-3-28/h10-12,16H,2-9,13-14H2,1H3,(H,24,25,26).
What are the key properties of [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone?
[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone has a molecular weight of 452.52 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone is sourced from PubChem (CID 134324520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).