3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide

C23H26FN7O4S — CID 178094171

IUPAC3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cc2ncc(-c3cc(C(=O)N[C@H](C)c4ncc(F)cn4)n(C)n3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C23H26FN7O4S/c1-13(21-26-9-14(24)10-27-21)28-22(32)16-7-15(29-30(16)5)17-11-25-20-8-18(35-6)19(12-31(17)20)36(33,34)23(2,3)4/h7-13H,1-6H3,(H,28,32)/t13-/m1/s1
InChIKeyAPFFRSPKIXKKSB-CYBMUJFWSA-N
MW515.57 g/mol
LogP2.74
Rot. Bonds6

About 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide

3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide (PubChem CID 178094171) has the molecular formula C23H26FN7O4S and a molecular weight of 515.57 g/mol. Its IUPAC name is 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
PubChem CID178094171
Molecular FormulaC23H26FN7O4S
Molecular Weight515.57 g/mol
Exact Mass515.18
IUPAC Name3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cc2ncc(-c3cc(C(=O)N[C@H](C)c4ncc(F)cn4)n(C)n3)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C23H26FN7O4S/c1-13(21-26-9-14(24)10-27-21)28-22(32)16-7-15(29-30(16)5)17-11-25-20-8-18(35-6)19(12-31(17)20)36(33,34)23(2,3)4/h7-13H,1-6H3,(H,28,32)/t13-/m1/s1
InChIKeyAPFFRSPKIXKKSB-CYBMUJFWSA-N
XLogP2.74
TPSA133.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.57
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide (CID 178094171) is 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide is COc1cc2ncc(-c3cc(C(=O)N[C@H](C)c4ncc(F)cn4)n(C)n3)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is APFFRSPKIXKKSB-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H26FN7O4S/c1-13(21-26-9-14(24)10-27-21)28-22(32)16-7-15(29-30(16)5)17-11-25-20-8-18(35-6)19(12-31(17)20)36(33,34)23(2,3)4/h7-13H,1-6H3,(H,28,32)/t13-/m1/s1.
What are the key properties of 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide?
3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 515.57 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 178094171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).