4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide

C23H36N6O2 — CID 66728584

IUPAC4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(n2c(N)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C23H36N6O2/c1-16(2)26-22(30)17-6-8-18(9-7-17)29-20-14-21(25-15-19(20)27-23(29)24)31-13-12-28-10-4-3-5-11-28/h14-18H,3-13H2,1-2H3,(H2,24,27)(H,26,30)
InChIKeyQUIRAFHMVUIOPC-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.13
Rot. Bonds7

About 4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide

4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 66728584) has the molecular formula C23H36N6O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide
PubChem CID66728584
Molecular FormulaC23H36N6O2
Molecular Weight428.58 g/mol
Exact Mass428.29
IUPAC Name4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(n2c(N)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C23H36N6O2/c1-16(2)26-22(30)17-6-8-18(9-7-17)29-20-14-21(25-15-19(20)27-23(29)24)31-13-12-28-10-4-3-5-11-28/h14-18H,3-13H2,1-2H3,(H2,24,27)(H,26,30)
InChIKeyQUIRAFHMVUIOPC-UHFFFAOYSA-N
XLogP3.13
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide (CID 66728584) is 4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide is CC(C)NC(=O)C1CCC(n2c(N)nc3cnc(OCCN4CCCCC4)cc32)CC1.
What is the InChIKey of 4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is QUIRAFHMVUIOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O2/c1-16(2)26-22(30)17-6-8-18(9-7-17)29-20-14-21(25-15-19(20)27-23(29)24)31-13-12-28-10-4-3-5-11-28/h14-18H,3-13H2,1-2H3,(H2,24,27)(H,26,30).
What are the key properties of 4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide?
4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-1-yl]-N-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 66728584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).