2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol

C19H18F5N5O — CID 169211675

IUPAC2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol
SMILESCn1nc(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cnc(NC3CCNCC3)cc21
InChIInChI=1S/C19H18F5N5O/c1-29-13-7-14(27-9-2-4-25-5-3-9)26-8-11(13)17(28-29)10-6-12(19(22,23)24)16(21)18(30)15(10)20/h6-9,25,30H,2-5H2,1H3,(H,26,27)
InChIKeyNHUJHNDGIBKKMQ-UHFFFAOYSA-N
MW427.38 g/mol
LogP3.80
Rot. Bonds3

About 2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol

2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 169211675) has the molecular formula C19H18F5N5O and a molecular weight of 427.38 g/mol. Its IUPAC name is 2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol
PubChem CID169211675
Molecular FormulaC19H18F5N5O
Molecular Weight427.38 g/mol
Exact Mass427.14
IUPAC Name2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol
SMILESCn1nc(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cnc(NC3CCNCC3)cc21
InChIInChI=1S/C19H18F5N5O/c1-29-13-7-14(27-9-2-4-25-5-3-9)26-8-11(13)17(28-29)10-6-12(19(22,23)24)16(21)18(30)15(10)20/h6-9,25,30H,2-5H2,1H3,(H,26,27)
InChIKeyNHUJHNDGIBKKMQ-UHFFFAOYSA-N
XLogP3.80
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol (CID 169211675) is 2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol is Cn1nc(-c2cc(C(F)(F)F)c(F)c(O)c2F)c2cnc(NC3CCNCC3)cc21.
What is the InChIKey of 2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol?
The InChIKey is NHUJHNDGIBKKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N5O/c1-29-13-7-14(27-9-2-4-25-5-3-9)26-8-11(13)17(28-29)10-6-12(19(22,23)24)16(21)18(30)15(10)20/h6-9,25,30H,2-5H2,1H3,(H,26,27).
What are the key properties of 2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol?
2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 427.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[1-methyl-6-(piperidin-4-ylamino)pyrazolo[4,3-c]pyridin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 169211675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).