N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine

C22H31N7O — CID 97410736

IUPACN-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine
SMILESCOCCN(C)c1nc(C2CCN(c3ncccn3)CC2)cc2c1ncn2C(C)C
InChIInChI=1S/C22H31N7O/c1-16(2)29-15-25-20-19(29)14-18(26-21(20)27(3)12-13-30-4)17-6-10-28(11-7-17)22-23-8-5-9-24-22/h5,8-9,14-17H,6-7,10-13H2,1-4H3
InChIKeyFHMGBHONYSELAN-UHFFFAOYSA-N
MW409.54 g/mol
LogP3.27
Rot. Bonds7

About N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine

N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 97410736) has the molecular formula C22H31N7O and a molecular weight of 409.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine
PubChem CID97410736
Molecular FormulaC22H31N7O
Molecular Weight409.54 g/mol
Exact Mass409.26
IUPAC NameN-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine
SMILESCOCCN(C)c1nc(C2CCN(c3ncccn3)CC2)cc2c1ncn2C(C)C
InChIInChI=1S/C22H31N7O/c1-16(2)29-15-25-20-19(29)14-18(26-21(20)27(3)12-13-30-4)17-6-10-28(11-7-17)22-23-8-5-9-24-22/h5,8-9,14-17H,6-7,10-13H2,1-4H3
InChIKeyFHMGBHONYSELAN-UHFFFAOYSA-N
XLogP3.27
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 53.27
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-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine (CID 97410736) is N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine is COCCN(C)c1nc(C2CCN(c3ncccn3)CC2)cc2c1ncn2C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is FHMGBHONYSELAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O/c1-16(2)29-15-25-20-19(29)14-18(26-21(20)27(3)12-13-30-4)17-6-10-28(11-7-17)22-23-8-5-9-24-22/h5,8-9,14-17H,6-7,10-13H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine?
N-(2-methoxyethyl)-N-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 409.54 g/mol, XLogP of 3.27, 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-methyl-1-propan-2-yl-6-(1-pyrimidin-2-ylpiperidin-4-yl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 97410736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).