6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one

C24H29N5O2 — CID 110311656

IUPAC6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
SMILESCC1CCCC(C)N1Cc1c(-c2ccc3c(c2)N(C)C(=O)CO3)nc2ccc(N)cn12
InChIInChI=1S/C24H29N5O2/c1-15-5-4-6-16(2)28(15)13-20-24(26-22-10-8-18(25)12-29(20)22)17-7-9-21-19(11-17)27(3)23(30)14-31-21/h7-12,15-16H,4-6,13-14,25H2,1-3H3
InChIKeyHLBIFIRFRCBLPN-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.70
Rot. Bonds3

About 6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one

6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one (PubChem CID 110311656) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
PubChem CID110311656
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
SMILESCC1CCCC(C)N1Cc1c(-c2ccc3c(c2)N(C)C(=O)CO3)nc2ccc(N)cn12
InChIInChI=1S/C24H29N5O2/c1-15-5-4-6-16(2)28(15)13-20-24(26-22-10-8-18(25)12-29(20)22)17-7-9-21-19(11-17)27(3)23(30)14-31-21/h7-12,15-16H,4-6,13-14,25H2,1-3H3
InChIKeyHLBIFIRFRCBLPN-UHFFFAOYSA-N
XLogP3.70
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

6-[3-(aminomethyl)-6-chloroimidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 39199460
3-[(2,6-dimethylpiperidin-1-yl)methyl]-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-amine
CID 110311654
4-methyl-6-(3-nitrosoimidazo[1,2-a]pyridin-2-yl)-1,4-benzoxazin-3-one
CID 95967035
6-(6-amino-8-methylimidazo[1,2-a]pyridin-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 93206340
6-[3-(aminomethyl)-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 39199464
6-[6-amino-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4H-1,4-benzoxazin-3-one
CID 110311797
6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one
CID 96667520
3-[(3,5-dimethylpiperidin-1-yl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-6-amine
CID 110311592
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 165344231
3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 82028938
6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
6-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 82360077

Frequently Asked Questions

What is the IUPAC name of 6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one (CID 110311656) is 6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one is CC1CCCC(C)N1Cc1c(-c2ccc3c(c2)N(C)C(=O)CO3)nc2ccc(N)cn12.
What is the InChIKey of 6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is HLBIFIRFRCBLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-15-5-4-6-16(2)28(15)13-20-24(26-22-10-8-18(25)12-29(20)22)17-7-9-21-19(11-17)27(3)23(30)14-31-21/h7-12,15-16H,4-6,13-14,25H2,1-3H3.
What are the key properties of 6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one?
6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 419.53 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-amino-3-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 110311656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).