N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

C16H24N6O3S — CID 86771701

IUPACN-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1C)CN(S(=O)(=O)c1cnn(CC)c1)CC2
InChIInChI=1S/C16H24N6O3S/c1-4-16(23)17-9-15-19-13-6-7-22(11-14(13)20(15)3)26(24,25)12-8-18-21(5-2)10-12/h8,10H,4-7,9,11H2,1-3H3,(H,17,23)
InChIKeyRAGSEJXMOISYTP-UHFFFAOYSA-N
MW380.47 g/mol
LogP0.41
Rot. Bonds6

About N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (PubChem CID 86771701) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
PubChem CID86771701
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC NameN-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1C)CN(S(=O)(=O)c1cnn(CC)c1)CC2
InChIInChI=1S/C16H24N6O3S/c1-4-16(23)17-9-15-19-13-6-7-22(11-14(13)20(15)3)26(24,25)12-8-18-21(5-2)10-12/h8,10H,4-7,9,11H2,1-3H3,(H,17,23)
InChIKeyRAGSEJXMOISYTP-UHFFFAOYSA-N
XLogP0.41
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (CID 86771701) is N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is CCC(=O)NCc1nc2c(n1C)CN(S(=O)(=O)c1cnn(CC)c1)CC2.
What is the InChIKey of N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The InChIKey is RAGSEJXMOISYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-4-16(23)17-9-15-19-13-6-7-22(11-14(13)20(15)3)26(24,25)12-8-18-21(5-2)10-12/h8,10H,4-7,9,11H2,1-3H3,(H,17,23).
What are the key properties of N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide has a molecular weight of 380.47 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-ethylpyrazol-4-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is sourced from PubChem (CID 86771701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).