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

C24H31FN8O3 — CID 134324455

IUPAC[6-fluoro-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(-c2nc3nc(C(=O)N4CCC(N5CCOCC5)CC4)[nH]c3c(N3CCOCC3)c2F)cn1
InChIInChI=1S/C24H31FN8O3/c1-30-15-16(14-26-30)19-18(25)21(32-8-12-36-13-9-32)20-22(27-19)29-23(28-20)24(34)33-4-2-17(3-5-33)31-6-10-35-11-7-31/h14-15,17H,2-13H2,1H3,(H,27,28,29)
InChIKeyMNDZKIGJGFFWLL-UHFFFAOYSA-N
MW498.56 g/mol
LogP1.27
Rot. Bonds4

About [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[6-fluoro-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 134324455) has the molecular formula C24H31FN8O3 and a molecular weight of 498.56 g/mol. Its IUPAC name is [6-fluoro-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[6-fluoro-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 CID134324455
Molecular FormulaC24H31FN8O3
Molecular Weight498.56 g/mol
Exact Mass498.25
IUPAC Name[6-fluoro-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(-c2nc3nc(C(=O)N4CCC(N5CCOCC5)CC4)[nH]c3c(N3CCOCC3)c2F)cn1
InChIInChI=1S/C24H31FN8O3/c1-30-15-16(14-26-30)19-18(25)21(32-8-12-36-13-9-32)20-22(27-19)29-23(28-20)24(34)33-4-2-17(3-5-33)31-6-10-35-11-7-31/h14-15,17H,2-13H2,1H3,(H,27,28,29)
InChIKeyMNDZKIGJGFFWLL-UHFFFAOYSA-N
XLogP1.27
TPSA104.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-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 [6-fluoro-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 134324455) is [6-fluoro-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 [6-fluoro-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 [6-fluoro-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(-c2nc3nc(C(=O)N4CCC(N5CCOCC5)CC4)[nH]c3c(N3CCOCC3)c2F)cn1.
What is the InChIKey of [6-fluoro-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 MNDZKIGJGFFWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN8O3/c1-30-15-16(14-26-30)19-18(25)21(32-8-12-36-13-9-32)20-22(27-19)29-23(28-20)24(34)33-4-2-17(3-5-33)31-6-10-35-11-7-31/h14-15,17H,2-13H2,1H3,(H,27,28,29).
What are the key properties of [6-fluoro-5-(1-methylpyrazol-4-yl)-7-morpholin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-fluoro-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 498.56 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-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 134324455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).