N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide

C29H29N9O3S — CID 144759829

IUPACN-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILES[H]/N=C\c1ncc(-c2cnn(C)c2)cc1NS(=O)(=O)c1cnc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cn12
InChIInChI=1S/C29H29N9O3S/c1-35-9-11-37(12-10-35)29(39)21-5-3-20(4-6-21)22-7-8-27-32-17-28(38(27)19-22)42(40,41)34-25-13-23(15-31-26(25)14-30)24-16-33-36(2)18-24/h3-8,13-19,30,34H,9-12H2,1-2H3/b30-14-
InChIKeyWUACGOUJYNPRAE-CPDSRJINSA-N
MW583.68 g/mol
LogP2.98
Rot. Bonds7

About N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide

N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 144759829) has the molecular formula C29H29N9O3S and a molecular weight of 583.68 g/mol. Its IUPAC name is N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID144759829
Molecular FormulaC29H29N9O3S
Molecular Weight583.68 g/mol
Exact Mass583.21
IUPAC NameN-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide
SMILES[H]/N=C\c1ncc(-c2cnn(C)c2)cc1NS(=O)(=O)c1cnc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cn12
InChIInChI=1S/C29H29N9O3S/c1-35-9-11-37(12-10-35)29(39)21-5-3-20(4-6-21)22-7-8-27-32-17-28(38(27)19-22)42(40,41)34-25-13-23(15-31-26(25)14-30)24-16-33-36(2)18-24/h3-8,13-19,30,34H,9-12H2,1-2H3/b30-14-
InChIKeyWUACGOUJYNPRAE-CPDSRJINSA-N
XLogP2.98
TPSA141.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.68
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 146639529
[4-[3-[2-[4-(methylamino)phenyl]ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 167112800
imidazo[1,2-a]pyridin-3-yl-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanone
CID 46846990
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
(4-methylpiperazin-1-yl)-[4-[3-[[6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanone
CID 121339330
[4-[4-[4-methanimidoyl-3-(methylamino)phenyl]benzoyl]piperazin-1-yl]-(oxetan-2-yl)methanone
CID 142573868
2-amino-N-[(3R)-1-[4-[4-(4-methylpiperazin-1-yl)phenyl]benzoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 139580481
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide;molecular hydrogen
CID 145297525
2-fluoro-N-methyl-4-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 71084294
[4-[6-amino-5-[6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71455663
6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 158564904
N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
CID 134328558

Frequently Asked Questions

What is the IUPAC name of N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide (CID 144759829) is N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide is [H]/N=C\c1ncc(-c2cnn(C)c2)cc1NS(=O)(=O)c1cnc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)cn12.
What is the InChIKey of N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is WUACGOUJYNPRAE-CPDSRJINSA-N. The full InChI is InChI=1S/C29H29N9O3S/c1-35-9-11-37(12-10-35)29(39)21-5-3-20(4-6-21)22-7-8-27-32-17-28(38(27)19-22)42(40,41)34-25-13-23(15-31-26(25)14-30)24-16-33-36(2)18-24/h3-8,13-19,30,34H,9-12H2,1-2H3/b30-14-.
What are the key properties of N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide?
N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 583.68 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 144759829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).