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

C24H32N8O3 — CID 122589777

IUPAC[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCn1cc(-c2cc(N3CCOCC3)c3[nH]c(C(=O)N4CCC(N5CCOCC5)CC4)nc3n2)cn1
InChIInChI=1S/C24H32N8O3/c1-29-16-17(15-25-29)19-14-20(31-8-12-35-13-9-31)21-22(26-19)28-23(27-21)24(33)32-4-2-18(3-5-32)30-6-10-34-11-7-30/h14-16,18H,2-13H2,1H3,(H,26,27,28)
InChIKeyJOJUIKVYXSLWFE-UHFFFAOYSA-N
MW480.57 g/mol
LogP1.13
Rot. Bonds4

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

[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 122589777) has the molecular formula C24H32N8O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID122589777
Molecular FormulaC24H32N8O3
Molecular Weight480.57 g/mol
Exact Mass480.26
IUPAC Name[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCn1cc(-c2cc(N3CCOCC3)c3[nH]c(C(=O)N4CCC(N5CCOCC5)CC4)nc3n2)cn1
InChIInChI=1S/C24H32N8O3/c1-29-16-17(15-25-29)19-14-20(31-8-12-35-13-9-31)21-22(26-19)28-23(27-21)24(33)32-4-2-18(3-5-32)30-6-10-34-11-7-30/h14-16,18H,2-13H2,1H3,(H,26,27,28)
InChIKeyJOJUIKVYXSLWFE-UHFFFAOYSA-N
XLogP1.13
TPSA104.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 51.13
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]-(4-morpholin-4-ylpiperidin-1-yl)methanone with MolForge

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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]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [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 122589777) is [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-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]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is Cn1cc(-c2cc(N3CCOCC3)c3[nH]c(C(=O)N4CCC(N5CCOCC5)CC4)nc3n2)cn1.
What is the InChIKey of [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is JOJUIKVYXSLWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O3/c1-29-16-17(15-25-29)19-14-20(31-8-12-35-13-9-31)21-22(26-19)28-23(27-21)24(33)32-4-2-18(3-5-32)30-6-10-34-11-7-30/h14-16,18H,2-13H2,1H3,(H,26,27,28).
What are the key properties of [5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 480.57 g/mol, XLogP of 1.13, 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]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 122589777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).