4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one

C27H31N5O3 — CID 68727844

IUPAC4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCN1CC=C(c2ccc3ccccc3c2)c2[nH]c(=O)n(C3CCN(C(=O)N4CCOCC4)CC3)c21
InChIInChI=1S/C27H31N5O3/c1-29-11-10-23(21-7-6-19-4-2-3-5-20(19)18-21)24-25(29)32(26(33)28-24)22-8-12-30(13-9-22)27(34)31-14-16-35-17-15-31/h2-7,10,18,22H,8-9,11-17H2,1H3,(H,28,33)
InChIKeyONWMFYXWZICINQ-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.30
Rot. Bonds2

About 4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one

4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 68727844) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID68727844
Molecular FormulaC27H31N5O3
Molecular Weight473.58 g/mol
Exact Mass473.24
IUPAC Name4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCN1CC=C(c2ccc3ccccc3c2)c2[nH]c(=O)n(C3CCN(C(=O)N4CCOCC4)CC3)c21
InChIInChI=1S/C27H31N5O3/c1-29-11-10-23(21-7-6-19-4-2-3-5-20(19)18-21)24-25(29)32(26(33)28-24)22-8-12-30(13-9-22)27(34)31-14-16-35-17-15-31/h2-7,10,18,22H,8-9,11-17H2,1H3,(H,28,33)
InChIKeyONWMFYXWZICINQ-UHFFFAOYSA-N
XLogP3.30
TPSA73.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one (CID 68727844) is 4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one is CN1CC=C(c2ccc3ccccc3c2)c2[nH]c(=O)n(C3CCN(C(=O)N4CCOCC4)CC3)c21.
What is the InChIKey of 4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is ONWMFYXWZICINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-29-11-10-23(21-7-6-19-4-2-3-5-20(19)18-21)24-25(29)32(26(33)28-24)22-8-12-30(13-9-22)27(34)31-14-16-35-17-15-31/h2-7,10,18,22H,8-9,11-17H2,1H3,(H,28,33).
What are the key properties of 4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one?
4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 473.58 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[1-(morpholine-4-carbonyl)piperidin-4-yl]-7-naphthalen-2-yl-1,5-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 68727844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).