N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide

C19H27N5O2S — CID 127365372

IUPACN-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide
SMILESCC(C)c1nc2c(n1C)CCN(c1ccc(S(=O)(=O)NCC3CC3)cn1)C2
InChIInChI=1S/C19H27N5O2S/c1-13(2)19-22-16-12-24(9-8-17(16)23(19)3)18-7-6-15(11-20-18)27(25,26)21-10-14-4-5-14/h6-7,11,13-14,21H,4-5,8-10,12H2,1-3H3
InChIKeyMEISSDANNGKHRC-UHFFFAOYSA-N
MW389.53 g/mol
LogP2.19
Rot. Bonds6

About N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide

N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide (PubChem CID 127365372) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide
PubChem CID127365372
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC NameN-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide
SMILESCC(C)c1nc2c(n1C)CCN(c1ccc(S(=O)(=O)NCC3CC3)cn1)C2
InChIInChI=1S/C19H27N5O2S/c1-13(2)19-22-16-12-24(9-8-17(16)23(19)3)18-7-6-15(11-20-18)27(25,26)21-10-14-4-5-14/h6-7,11,13-14,21H,4-5,8-10,12H2,1-3H3
InChIKeyMEISSDANNGKHRC-UHFFFAOYSA-N
XLogP2.19
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide (CID 127365372) is N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide is CC(C)c1nc2c(n1C)CCN(c1ccc(S(=O)(=O)NCC3CC3)cn1)C2.
What is the InChIKey of N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide?
The InChIKey is MEISSDANNGKHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-13(2)19-22-16-12-24(9-8-17(16)23(19)3)18-7-6-15(11-20-18)27(25,26)21-10-14-4-5-14/h6-7,11,13-14,21H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide?
N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide has a molecular weight of 389.53 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 127365372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).