cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol

C19H20F2N6O — CID 53354273

IUPACcyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol
SMILESOC(C1CC1)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1
InChIInChI=1S/C19H20F2N6O/c20-12-8-13(21)19(27-7-6-22-14(9-27)17(28)10-3-4-10)24-16(12)15-11-2-1-5-23-18(11)26-25-15/h1-2,5,8,10,14,17,22,28H,3-4,6-7,9H2,(H,23,25,26)
InChIKeyLYAUXHJAOYJZRV-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.85
Rot. Bonds4

About cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol

cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol (PubChem CID 53354273) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol
PubChem CID53354273
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Namecyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol
SMILESOC(C1CC1)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1
InChIInChI=1S/C19H20F2N6O/c20-12-8-13(21)19(27-7-6-22-14(9-27)17(28)10-3-4-10)24-16(12)15-11-2-1-5-23-18(11)26-25-15/h1-2,5,8,10,14,17,22,28H,3-4,6-7,9H2,(H,23,25,26)
InChIKeyLYAUXHJAOYJZRV-UHFFFAOYSA-N
XLogP1.85
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol?
The IUPAC name of cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol (CID 53354273) is cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol.
What is the SMILES notation for cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol?
The canonical SMILES for cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol is OC(C1CC1)C1CN(c2nc(-c3[nH]nc4ncccc34)c(F)cc2F)CCN1.
What is the InChIKey of cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol?
The InChIKey is LYAUXHJAOYJZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c20-12-8-13(21)19(27-7-6-22-14(9-27)17(28)10-3-4-10)24-16(12)15-11-2-1-5-23-18(11)26-25-15/h1-2,5,8,10,14,17,22,28H,3-4,6-7,9H2,(H,23,25,26).
What are the key properties of cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol?
cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol has a molecular weight of 386.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3,5-difluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]methanol is sourced from PubChem (CID 53354273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).