10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one

C23H31N5O — CID 10408283

IUPAC10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
SMILESCc1[nH]c(CN(C)C)nc1CC1CCc2c(CN(C)C)c3ccccc3n2C1=O
InChIInChI=1S/C23H31N5O/c1-15-19(25-22(24-15)14-27(4)5)12-16-10-11-21-18(13-26(2)3)17-8-6-7-9-20(17)28(21)23(16)29/h6-9,16H,10-14H2,1-5H3,(H,24,25)
InChIKeyKAIHNNPBHOLUNS-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.24
Rot. Bonds6

About 10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one

10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one (PubChem CID 10408283) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one.

Molecular Properties

Compound Name10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
PubChem CID10408283
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
SMILESCc1[nH]c(CN(C)C)nc1CC1CCc2c(CN(C)C)c3ccccc3n2C1=O
InChIInChI=1S/C23H31N5O/c1-15-19(25-22(24-15)14-27(4)5)12-16-10-11-21-18(13-26(2)3)17-8-6-7-9-20(17)28(21)23(16)29/h6-9,16H,10-14H2,1-5H3,(H,24,25)
InChIKeyKAIHNNPBHOLUNS-UHFFFAOYSA-N
XLogP3.24
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The IUPAC name of 10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one (CID 10408283) is 10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one.
What is the SMILES notation for 10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The canonical SMILES for 10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one is Cc1[nH]c(CN(C)C)nc1CC1CCc2c(CN(C)C)c3ccccc3n2C1=O.
What is the InChIKey of 10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The InChIKey is KAIHNNPBHOLUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-15-19(25-22(24-15)14-27(4)5)12-16-10-11-21-18(13-26(2)3)17-8-6-7-9-20(17)28(21)23(16)29/h6-9,16H,10-14H2,1-5H3,(H,24,25).
What are the key properties of 10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one has a molecular weight of 393.54 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(dimethylamino)methyl]-7-[[2-[(dimethylamino)methyl]-5-methyl-1H-imidazol-4-yl]methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one is sourced from PubChem (CID 10408283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).