N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine

C21H30N6O2 — CID 155901685

IUPACN-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine
SMILESCOCCN(C)c1nc(C2CCN(Cc3cc(C)on3)CC2)cc2c1ncn2C
InChIInChI=1S/C21H30N6O2/c1-15-11-17(24-29-15)13-27-7-5-16(6-8-27)18-12-19-20(22-14-26(19)3)21(23-18)25(2)9-10-28-4/h11-12,14,16H,5-10,13H2,1-4H3
InChIKeyOKAKXVQKHYCOKC-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.73
Rot. Bonds7

About N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine

N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine (PubChem CID 155901685) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine
PubChem CID155901685
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine
SMILESCOCCN(C)c1nc(C2CCN(Cc3cc(C)on3)CC2)cc2c1ncn2C
InChIInChI=1S/C21H30N6O2/c1-15-11-17(24-29-15)13-27-7-5-16(6-8-27)18-12-19-20(22-14-26(19)3)21(23-18)25(2)9-10-28-4/h11-12,14,16H,5-10,13H2,1-4H3
InChIKeyOKAKXVQKHYCOKC-UHFFFAOYSA-N
XLogP2.73
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine (CID 155901685) is N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine is COCCN(C)c1nc(C2CCN(Cc3cc(C)on3)CC2)cc2c1ncn2C.
What is the InChIKey of N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine?
The InChIKey is OKAKXVQKHYCOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-15-11-17(24-29-15)13-27-7-5-16(6-8-27)18-12-19-20(22-14-26(19)3)21(23-18)25(2)9-10-28-4/h11-12,14,16H,5-10,13H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine?
N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine has a molecular weight of 398.51 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 155901685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).