N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

C19H15N5O3S — CID 71726493

IUPACN-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)c1cnc2nccn2c1
InChIInChI=1S/C19H15N5O3S/c25-18(14-10-23-19-20-8-9-24(19)13-14)22-11-15-6-7-17(12-21-15)28(26,27)16-4-2-1-3-5-16/h1-10,12-13H,11H2,(H,22,25)
InChIKeyDZOBHAASVDZAOV-UHFFFAOYSA-N
MW393.43 g/mol
LogP1.89
Rot. Bonds5

About N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide

N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 71726493) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID71726493
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC NameN-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)c1cnc2nccn2c1
InChIInChI=1S/C19H15N5O3S/c25-18(14-10-23-19-20-8-9-24(19)13-14)22-11-15-6-7-17(12-21-15)28(26,27)16-4-2-1-3-5-16/h1-10,12-13H,11H2,(H,22,25)
InChIKeyDZOBHAASVDZAOV-UHFFFAOYSA-N
XLogP1.89
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 71726493) is N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccccc2)cn1)c1cnc2nccn2c1.
What is the InChIKey of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is DZOBHAASVDZAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c25-18(14-10-23-19-20-8-9-24(19)13-14)22-11-15-6-7-17(12-21-15)28(26,27)16-4-2-1-3-5-16/h1-10,12-13H,11H2,(H,22,25).
What are the key properties of N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(benzenesulfonyl)-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 71726493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).