N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C23H29N5O2S — CID 118160929

IUPACN-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)CN1CCC(S(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)CC1
InChIInChI=1S/C23H29N5O2S/c1-17(2)15-27-10-7-20(8-11-27)31(30)21-5-4-19(25-14-21)13-26-23(29)18-3-6-22-24-9-12-28(22)16-18/h3-6,9,12,14,16-17,20H,7-8,10-11,13,15H2,1-2H3,(H,26,29)
InChIKeyVPNVZBMAYZXHGS-UHFFFAOYSA-N
MW439.59 g/mol
LogP2.89
Rot. Bonds7

About N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118160929) has the molecular formula C23H29N5O2S and a molecular weight of 439.59 g/mol. Its IUPAC name is N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118160929
Molecular FormulaC23H29N5O2S
Molecular Weight439.59 g/mol
Exact Mass439.20
IUPAC NameN-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)CN1CCC(S(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)CC1
InChIInChI=1S/C23H29N5O2S/c1-17(2)15-27-10-7-20(8-11-27)31(30)21-5-4-19(25-14-21)13-26-23(29)18-3-6-22-24-9-12-28(22)16-18/h3-6,9,12,14,16-17,20H,7-8,10-11,13,15H2,1-2H3,(H,26,29)
InChIKeyVPNVZBMAYZXHGS-UHFFFAOYSA-N
XLogP2.89
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118160929) is N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is CC(C)CN1CCC(S(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)CC1.
What is the InChIKey of N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is VPNVZBMAYZXHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2S/c1-17(2)15-27-10-7-20(8-11-27)31(30)21-5-4-19(25-14-21)13-26-23(29)18-3-6-22-24-9-12-28(22)16-18/h3-6,9,12,14,16-17,20H,7-8,10-11,13,15H2,1-2H3,(H,26,29).
What are the key properties of N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 439.59 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118160929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).