4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

C21H26F3N7O2 — CID 56682695

IUPAC4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOCCCN1CCN(c2ncccc2Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C21H26F3N7O2/c1-33-11-3-6-29-7-9-30(10-8-29)19-14(4-2-5-26-19)13-31-15-12-16(21(22,23)24)27-18(25)17(15)28-20(31)32/h2,4-5,12H,3,6-11,13H2,1H3,(H2,25,27)(H,28,32)
InChIKeyNUWBMQWKPIMVOE-UHFFFAOYSA-N
MW465.48 g/mol
LogP1.93
Rot. Bonds7

About 4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 56682695) has the molecular formula C21H26F3N7O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID56682695
Molecular FormulaC21H26F3N7O2
Molecular Weight465.48 g/mol
Exact Mass465.21
IUPAC Name4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOCCCN1CCN(c2ncccc2Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)CC1
InChIInChI=1S/C21H26F3N7O2/c1-33-11-3-6-29-7-9-30(10-8-29)19-14(4-2-5-26-19)13-31-15-12-16(21(22,23)24)27-18(25)17(15)28-20(31)32/h2,4-5,12H,3,6-11,13H2,1H3,(H2,25,27)(H,28,32)
InChIKeyNUWBMQWKPIMVOE-UHFFFAOYSA-N
XLogP1.93
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 56682695) is 4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is COCCCN1CCN(c2ncccc2Cn2c(=O)[nH]c3c(N)nc(C(F)(F)F)cc32)CC1.
What is the InChIKey of 4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is NUWBMQWKPIMVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N7O2/c1-33-11-3-6-29-7-9-30(10-8-29)19-14(4-2-5-26-19)13-31-15-12-16(21(22,23)24)27-18(25)17(15)28-20(31)32/h2,4-5,12H,3,6-11,13H2,1H3,(H2,25,27)(H,28,32).
What are the key properties of 4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 465.48 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[2-[4-(3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 56682695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).