N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate

C19H25N5O3S — CID 67872364

IUPACN-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate
SMILESO.O=S(=O)(CCN1CCC(Nc2nc3ncccc3[nH]2)CC1)c1ccccc1
InChIInChI=1S/C19H23N5O2S.H2O/c25-27(26,16-5-2-1-3-6-16)14-13-24-11-8-15(9-12-24)21-19-22-17-7-4-10-20-18(17)23-19;/h1-7,10,15H,8-9,11-14H2,(H2,20,21,22,23);1H2
InChIKeyGBDSSPLAWOUTFY-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.48
Rot. Bonds6

About N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate

N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate (PubChem CID 67872364) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate.

Molecular Properties

Compound NameN-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate
PubChem CID67872364
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate
SMILESO.O=S(=O)(CCN1CCC(Nc2nc3ncccc3[nH]2)CC1)c1ccccc1
InChIInChI=1S/C19H23N5O2S.H2O/c25-27(26,16-5-2-1-3-6-16)14-13-24-11-8-15(9-12-24)21-19-22-17-7-4-10-20-18(17)23-19;/h1-7,10,15H,8-9,11-14H2,(H2,20,21,22,23);1H2
InChIKeyGBDSSPLAWOUTFY-UHFFFAOYSA-N
XLogP1.48
TPSA122.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate?
The IUPAC name of N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate (CID 67872364) is N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate.
What is the SMILES notation for N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate?
The canonical SMILES for N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate is O.O=S(=O)(CCN1CCC(Nc2nc3ncccc3[nH]2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate?
The InChIKey is GBDSSPLAWOUTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S.H2O/c25-27(26,16-5-2-1-3-6-16)14-13-24-11-8-15(9-12-24)21-19-22-17-7-4-10-20-18(17)23-19;/h1-7,10,15H,8-9,11-14H2,(H2,20,21,22,23);1H2.
What are the key properties of N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate?
N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate has a molecular weight of 403.51 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(benzenesulfonyl)ethyl]piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrate is sourced from PubChem (CID 67872364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).