2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C19H26N4O2S — CID 45269512

IUPAC2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c(n1CC1CC1)CCN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C19H26N4O2S/c1-19(2,3)18-21-16-13-22(26(24,25)15-5-4-9-20-11-15)10-8-17(16)23(18)12-14-6-7-14/h4-5,9,11,14H,6-8,10,12-13H2,1-3H3
InChIKeyTVAGAOCIGSANAH-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.73
Rot. Bonds4

About 2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 45269512) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID45269512
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCC(C)(C)c1nc2c(n1CC1CC1)CCN(S(=O)(=O)c1cccnc1)C2
InChIInChI=1S/C19H26N4O2S/c1-19(2,3)18-21-16-13-22(26(24,25)15-5-4-9-20-11-15)10-8-17(16)23(18)12-14-6-7-14/h4-5,9,11,14H,6-8,10,12-13H2,1-3H3
InChIKeyTVAGAOCIGSANAH-UHFFFAOYSA-N
XLogP2.73
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 45269512) is 2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CC(C)(C)c1nc2c(n1CC1CC1)CCN(S(=O)(=O)c1cccnc1)C2.
What is the InChIKey of 2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is TVAGAOCIGSANAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-19(2,3)18-21-16-13-22(26(24,25)15-5-4-9-20-11-15)10-8-17(16)23(18)12-14-6-7-14/h4-5,9,11,14H,6-8,10,12-13H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 374.51 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(cyclopropylmethyl)-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 45269512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).