2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine

C20H27N5S — CID 172603976

IUPAC2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCCCCc1nc2c(N)nc(C)c(Sc3ccc(CN(C)C)cc3)c2[nH]1
InChIInChI=1S/C20H27N5S/c1-5-6-7-16-23-17-18(24-16)20(21)22-13(2)19(17)26-15-10-8-14(9-11-15)12-25(3)4/h8-11H,5-7,12H2,1-4H3,(H2,21,22)(H,23,24)
InChIKeyRJHJMYNXAUWCJL-UHFFFAOYSA-N
MW369.54 g/mol
LogP4.40
Rot. Bonds7

About 2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine

2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 172603976) has the molecular formula C20H27N5S and a molecular weight of 369.54 g/mol. Its IUPAC name is 2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID172603976
Molecular FormulaC20H27N5S
Molecular Weight369.54 g/mol
Exact Mass369.20
IUPAC Name2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCCCCc1nc2c(N)nc(C)c(Sc3ccc(CN(C)C)cc3)c2[nH]1
InChIInChI=1S/C20H27N5S/c1-5-6-7-16-23-17-18(24-16)20(21)22-13(2)19(17)26-15-10-8-14(9-11-15)12-25(3)4/h8-11H,5-7,12H2,1-4H3,(H2,21,22)(H,23,24)
InChIKeyRJHJMYNXAUWCJL-UHFFFAOYSA-N
XLogP4.40
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.54
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine (CID 172603976) is 2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine is CCCCc1nc2c(N)nc(C)c(Sc3ccc(CN(C)C)cc3)c2[nH]1.
What is the InChIKey of 2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is RJHJMYNXAUWCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5S/c1-5-6-7-16-23-17-18(24-16)20(21)22-13(2)19(17)26-15-10-8-14(9-11-15)12-25(3)4/h8-11H,5-7,12H2,1-4H3,(H2,21,22)(H,23,24).
What are the key properties of 2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine?
2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 369.54 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-[4-[(dimethylamino)methyl]phenyl]sulfanyl-6-methyl-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 172603976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).