4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole

C17H24N4OS — CID 97368510

IUPAC4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COC[C@@H]2CN(CC3CC3)Cc3ncn(C)c32)cs1
InChIInChI=1S/C17H24N4OS/c1-12-19-15(10-23-12)9-22-8-14-6-21(5-13-3-4-13)7-16-17(14)20(2)11-18-16/h10-11,13-14H,3-9H2,1-2H3/t14-/m0/s1
InChIKeyBMTKUKSBYRRYLS-AWEZNQCLSA-N
MW332.47 g/mol
LogP2.71
Rot. Bonds6

About 4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole

4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole (PubChem CID 97368510) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole
PubChem CID97368510
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(COC[C@@H]2CN(CC3CC3)Cc3ncn(C)c32)cs1
InChIInChI=1S/C17H24N4OS/c1-12-19-15(10-23-12)9-22-8-14-6-21(5-13-3-4-13)7-16-17(14)20(2)11-18-16/h10-11,13-14H,3-9H2,1-2H3/t14-/m0/s1
InChIKeyBMTKUKSBYRRYLS-AWEZNQCLSA-N
XLogP2.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole (CID 97368510) is 4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole is Cc1nc(COC[C@@H]2CN(CC3CC3)Cc3ncn(C)c32)cs1.
What is the InChIKey of 4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole?
The InChIKey is BMTKUKSBYRRYLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-12-19-15(10-23-12)9-22-8-14-6-21(5-13-3-4-13)7-16-17(14)20(2)11-18-16/h10-11,13-14H,3-9H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole?
4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole has a molecular weight of 332.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(7R)-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxymethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 97368510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).