N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide

C19H21F3N4O2S — CID 53191042

IUPACN-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccc(C(F)(F)F)s1)CC2
InChIInChI=1S/C19H21F3N4O2S/c1-25-13-10-26(18(28)14-5-6-15(29-14)19(20,21)22)8-7-12(13)24-16(25)9-23-17(27)11-3-2-4-11/h5-6,11H,2-4,7-10H2,1H3,(H,23,27)
InChIKeyMVIFTSSXEQUPNA-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.12
Rot. Bonds4

About N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide

N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 53191042) has the molecular formula C19H21F3N4O2S and a molecular weight of 426.46 g/mol. Its IUPAC name is N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID53191042
Molecular FormulaC19H21F3N4O2S
Molecular Weight426.46 g/mol
Exact Mass426.13
IUPAC NameN-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccc(C(F)(F)F)s1)CC2
InChIInChI=1S/C19H21F3N4O2S/c1-25-13-10-26(18(28)14-5-6-15(29-14)19(20,21)22)8-7-12(13)24-16(25)9-23-17(27)11-3-2-4-11/h5-6,11H,2-4,7-10H2,1H3,(H,23,27)
InChIKeyMVIFTSSXEQUPNA-UHFFFAOYSA-N
XLogP3.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (CID 53191042) is N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is Cn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)c1ccc(C(F)(F)F)s1)CC2.
What is the InChIKey of N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is MVIFTSSXEQUPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2S/c1-25-13-10-26(18(28)14-5-6-15(29-14)19(20,21)22)8-7-12(13)24-16(25)9-23-17(27)11-3-2-4-11/h5-6,11H,2-4,7-10H2,1H3,(H,23,27).
What are the key properties of N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 426.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-[5-(trifluoromethyl)thiophene-2-carbonyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 53191042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).