N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide

C22H25N5O — CID 46958748

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(n2cnc3cccnc32)CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C22H25N5O/c28-21(25-18-7-6-16-3-1-4-17(16)13-18)14-26-11-8-19(9-12-26)27-15-24-20-5-2-10-23-22(20)27/h2,5-7,10,13,15,19H,1,3-4,8-9,11-12,14H2,(H,25,28)
InChIKeyJLINKIQIAVSLPG-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.20
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide (PubChem CID 46958748) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide
PubChem CID46958748
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide
SMILESO=C(CN1CCC(n2cnc3cccnc32)CC1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C22H25N5O/c28-21(25-18-7-6-16-3-1-4-17(16)13-18)14-26-11-8-19(9-12-26)27-15-24-20-5-2-10-23-22(20)27/h2,5-7,10,13,15,19H,1,3-4,8-9,11-12,14H2,(H,25,28)
InChIKeyJLINKIQIAVSLPG-UHFFFAOYSA-N
XLogP3.20
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 645302
2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 46958754
N-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylacetamide
CID 1429488
2-[4-(benzimidazol-1-yl)piperidin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 1469420
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81492316
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide;hydrochloride
CID 119933929
N-(2,3-dihydro-1H-inden-5-yl)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186899
N-(2,3-dihydro-1H-inden-5-yl)-2-[7-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 11279830
N-(3,5-dimethoxyphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286550
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663891
N-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
CID 3213439
N-(2,3-dihydro-1H-inden-5-yl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 651056

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide (CID 46958748) is N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide is O=C(CN1CCC(n2cnc3cccnc32)CC1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide?
The InChIKey is JLINKIQIAVSLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c28-21(25-18-7-6-16-3-1-4-17(16)13-18)14-26-11-8-19(9-12-26)27-15-24-20-5-2-10-23-22(20)27/h2,5-7,10,13,15,19H,1,3-4,8-9,11-12,14H2,(H,25,28).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 46958748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).