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

C19H21F3N6O2 — CID 56662357

IUPAC4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1cccnc1OCCN1CCCC1
InChIInChI=1S/C19H21F3N6O2/c20-19(21,22)14-10-13-15(16(23)25-14)26-18(29)28(13)11-12-4-3-5-24-17(12)30-9-8-27-6-1-2-7-27/h3-5,10H,1-2,6-9,11H2,(H2,23,25)(H,26,29)
InChIKeyVHHUBERRCSTLTM-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.24
Rot. Bonds6

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

4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 56662357) has the molecular formula C19H21F3N6O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is 4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID56662357
Molecular FormulaC19H21F3N6O2
Molecular Weight422.41 g/mol
Exact Mass422.17
IUPAC Name4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1cccnc1OCCN1CCCC1
InChIInChI=1S/C19H21F3N6O2/c20-19(21,22)14-10-13-15(16(23)25-14)26-18(29)28(13)11-12-4-3-5-24-17(12)30-9-8-27-6-1-2-7-27/h3-5,10H,1-2,6-9,11H2,(H2,23,25)(H,26,29)
InChIKeyVHHUBERRCSTLTM-UHFFFAOYSA-N
XLogP2.24
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 56662357) is 4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1cccnc1OCCN1CCCC1.
What is the InChIKey of 4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is VHHUBERRCSTLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O2/c20-19(21,22)14-10-13-15(16(23)25-14)26-18(29)28(13)11-12-4-3-5-24-17(12)30-9-8-27-6-1-2-7-27/h3-5,10H,1-2,6-9,11H2,(H2,23,25)(H,26,29).
What are the key properties of 4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 422.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[2-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 56662357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).