1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone

C23H23F2N7O2S — CID 175632067

IUPAC1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCc1c(-c2cc(Sc3ncc(F)cc3F)c3c(N)cnn3c2)cnn1C1CCN(C(=O)CO)CC1
InChIInChI=1S/C23H23F2N7O2S/c1-13-17(9-29-32(13)16-2-4-30(5-3-16)21(34)12-33)14-6-20(22-19(26)10-28-31(22)11-14)35-23-18(25)7-15(24)8-27-23/h6-11,16,33H,2-5,12,26H2,1H3
InChIKeyHJFJWCMGXATLMB-UHFFFAOYSA-N
MW499.55 g/mol
LogP3.07
Rot. Bonds5

About 1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone

1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 175632067) has the molecular formula C23H23F2N7O2S and a molecular weight of 499.55 g/mol. Its IUPAC name is 1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone
PubChem CID175632067
Molecular FormulaC23H23F2N7O2S
Molecular Weight499.55 g/mol
Exact Mass499.16
IUPAC Name1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone
SMILESCc1c(-c2cc(Sc3ncc(F)cc3F)c3c(N)cnn3c2)cnn1C1CCN(C(=O)CO)CC1
InChIInChI=1S/C23H23F2N7O2S/c1-13-17(9-29-32(13)16-2-4-30(5-3-16)21(34)12-33)14-6-20(22-19(26)10-28-31(22)11-14)35-23-18(25)7-15(24)8-27-23/h6-11,16,33H,2-5,12,26H2,1H3
InChIKeyHJFJWCMGXATLMB-UHFFFAOYSA-N
XLogP3.07
TPSA114.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone (CID 175632067) is 1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone is Cc1c(-c2cc(Sc3ncc(F)cc3F)c3c(N)cnn3c2)cnn1C1CCN(C(=O)CO)CC1.
What is the InChIKey of 1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is HJFJWCMGXATLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O2S/c1-13-17(9-29-32(13)16-2-4-30(5-3-16)21(34)12-33)14-6-20(22-19(26)10-28-31(22)11-14)35-23-18(25)7-15(24)8-27-23/h6-11,16,33H,2-5,12,26H2,1H3.
What are the key properties of 1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone?
1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 499.55 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-amino-4-[(3,5-difluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 175632067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).