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

C24H28F4N8O3 — CID 134324474

IUPAC[6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1nc2nc(-c3cn[nH]c3C(F)(F)F)c(F)c(N3CCOCC3)c2[nH]1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H28F4N8O3/c25-16-17(15-13-29-33-20(15)24(26,27)28)30-21-18(19(16)35-7-11-39-12-8-35)31-22(32-21)23(37)36-3-1-14(2-4-36)34-5-9-38-10-6-34/h13-14H,1-12H2,(H,29,33)(H,30,31,32)
InChIKeyCWRCVMJHKVLTQZ-UHFFFAOYSA-N
MW552.53 g/mol
LogP2.28
Rot. Bonds4

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

[6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 134324474) has the molecular formula C24H28F4N8O3 and a molecular weight of 552.53 g/mol. Its IUPAC name is [6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID134324474
Molecular FormulaC24H28F4N8O3
Molecular Weight552.53 g/mol
Exact Mass552.22
IUPAC Name[6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1nc2nc(-c3cn[nH]c3C(F)(F)F)c(F)c(N3CCOCC3)c2[nH]1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H28F4N8O3/c25-16-17(15-13-29-33-20(15)24(26,27)28)30-21-18(19(16)35-7-11-39-12-8-35)31-22(32-21)23(37)36-3-1-14(2-4-36)34-5-9-38-10-6-34/h13-14H,1-12H2,(H,29,33)(H,30,31,32)
InChIKeyCWRCVMJHKVLTQZ-UHFFFAOYSA-N
XLogP2.28
TPSA115.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.53
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-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 [6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 134324474) is [6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-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-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1nc2nc(-c3cn[nH]c3C(F)(F)F)c(F)c(N3CCOCC3)c2[nH]1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of [6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is CWRCVMJHKVLTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N8O3/c25-16-17(15-13-29-33-20(15)24(26,27)28)30-21-18(19(16)35-7-11-39-12-8-35)31-22(32-21)23(37)36-3-1-14(2-4-36)34-5-9-38-10-6-34/h13-14H,1-12H2,(H,29,33)(H,30,31,32).
What are the key properties of [6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 552.53 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-7-morpholin-4-yl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 134324474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).