[3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone

C22H26F2N6O2 — CID 162359371

IUPAC[3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc3c(-c4cncc(OC(F)F)c4)nn(C(C)C)c3c2)CC1
InChIInChI=1S/C22H26F2N6O2/c1-4-28-5-7-29(8-6-28)21(31)16-10-18-20(26-12-16)19(27-30(18)14(2)3)15-9-17(13-25-11-15)32-22(23)24/h9-14,22H,4-8H2,1-3H3
InChIKeyJHNGIXVZSNMZFH-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.45
Rot. Bonds6

About [3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone

[3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 162359371) has the molecular formula C22H26F2N6O2 and a molecular weight of 444.49 g/mol. Its IUPAC name is [3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID162359371
Molecular FormulaC22H26F2N6O2
Molecular Weight444.49 g/mol
Exact Mass444.21
IUPAC Name[3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc3c(-c4cncc(OC(F)F)c4)nn(C(C)C)c3c2)CC1
InChIInChI=1S/C22H26F2N6O2/c1-4-28-5-7-29(8-6-28)21(31)16-10-18-20(26-12-16)19(27-30(18)14(2)3)15-9-17(13-25-11-15)32-22(23)24/h9-14,22H,4-8H2,1-3H3
InChIKeyJHNGIXVZSNMZFH-UHFFFAOYSA-N
XLogP3.45
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone (CID 162359371) is [3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cnc3c(-c4cncc(OC(F)F)c4)nn(C(C)C)c3c2)CC1.
What is the InChIKey of [3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is JHNGIXVZSNMZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N6O2/c1-4-28-5-7-29(8-6-28)21(31)16-10-18-20(26-12-16)19(27-30(18)14(2)3)15-9-17(13-25-11-15)32-22(23)24/h9-14,22H,4-8H2,1-3H3.
What are the key properties of [3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone?
[3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 444.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 162359371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).