3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

C26H29N5O4S — CID 134328414

IUPAC3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C26H29N5O4S/c1-16-6-7-17(25(32)29-19-8-9-19)10-20(16)18-12-28-31(14-18)24-13-27-23-11-21(35-5)22(15-30(23)24)36(33,34)26(2,3)4/h6-7,10-15,19H,8-9H2,1-5H3,(H,29,32)
InChIKeyQYTPVPZFNIIUQN-UHFFFAOYSA-N
MW507.62 g/mol
LogP3.97
Rot. Bonds6

About 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 134328414) has the molecular formula C26H29N5O4S and a molecular weight of 507.62 g/mol. Its IUPAC name is 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID134328414
Molecular FormulaC26H29N5O4S
Molecular Weight507.62 g/mol
Exact Mass507.19
IUPAC Name3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCOc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C26H29N5O4S/c1-16-6-7-17(25(32)29-19-8-9-19)10-20(16)18-12-28-31(14-18)24-13-27-23-11-21(35-5)22(15-30(23)24)36(33,34)26(2,3)4/h6-7,10-15,19H,8-9H2,1-5H3,(H,29,32)
InChIKeyQYTPVPZFNIIUQN-UHFFFAOYSA-N
XLogP3.97
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.62
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 134328414) is 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is COc1cc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is QYTPVPZFNIIUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4S/c1-16-6-7-17(25(32)29-19-8-9-19)10-20(16)18-12-28-31(14-18)24-13-27-23-11-21(35-5)22(15-30(23)24)36(33,34)26(2,3)4/h6-7,10-15,19H,8-9H2,1-5H3,(H,29,32).
What are the key properties of 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 507.62 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 134328414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).