N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide

C18H19F2N5O2 — CID 170577157

IUPACN-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(OC(C)C)nn2-c1cccc(C(C)(F)F)n1
InChIInChI=1S/C18H19F2N5O2/c1-10(2)27-17-12-9-21-15(22-11(3)26)8-13(12)25(24-17)16-7-5-6-14(23-16)18(4,19)20/h5-10H,1-4H3,(H,21,22,26)
InChIKeyWUIUWDPQCSWNLL-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.67
Rot. Bonds5

About N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide

N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide (PubChem CID 170577157) has the molecular formula C18H19F2N5O2 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide
PubChem CID170577157
Molecular FormulaC18H19F2N5O2
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC NameN-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(OC(C)C)nn2-c1cccc(C(C)(F)F)n1
InChIInChI=1S/C18H19F2N5O2/c1-10(2)27-17-12-9-21-15(22-11(3)26)8-13(12)25(24-17)16-7-5-6-14(23-16)18(4,19)20/h5-10H,1-4H3,(H,21,22,26)
InChIKeyWUIUWDPQCSWNLL-UHFFFAOYSA-N
XLogP3.67
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide (CID 170577157) is N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(OC(C)C)nn2-c1cccc(C(C)(F)F)n1.
What is the InChIKey of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide?
The InChIKey is WUIUWDPQCSWNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O2/c1-10(2)27-17-12-9-21-15(22-11(3)26)8-13(12)25(24-17)16-7-5-6-14(23-16)18(4,19)20/h5-10H,1-4H3,(H,21,22,26).
What are the key properties of N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide?
N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide has a molecular weight of 375.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(1,1-difluoroethyl)-2-pyridinyl]-3-propan-2-yloxypyrazolo[4,3-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).