N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide

C20H22F2N4O4 — CID 140670282

IUPACN-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide
SMILESCc1cc(C(C)N2Cc3c(ccnc3NC(=O)C(C)O)C2=O)cnc1OCC(F)F
InChIInChI=1S/C20H22F2N4O4/c1-10-6-13(7-24-19(10)30-9-16(21)22)11(2)26-8-15-14(20(26)29)4-5-23-17(15)25-18(28)12(3)27/h4-7,11-12,16,27H,8-9H2,1-3H3,(H,23,25,28)
InChIKeyCZCAXTGKDVNSGW-UHFFFAOYSA-N
MW420.42 g/mol
LogP2.47
Rot. Bonds7

About N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide

N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide (PubChem CID 140670282) has the molecular formula C20H22F2N4O4 and a molecular weight of 420.42 g/mol. Its IUPAC name is N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide
PubChem CID140670282
Molecular FormulaC20H22F2N4O4
Molecular Weight420.42 g/mol
Exact Mass420.16
IUPAC NameN-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide
SMILESCc1cc(C(C)N2Cc3c(ccnc3NC(=O)C(C)O)C2=O)cnc1OCC(F)F
InChIInChI=1S/C20H22F2N4O4/c1-10-6-13(7-24-19(10)30-9-16(21)22)11(2)26-8-15-14(20(26)29)4-5-23-17(15)25-18(28)12(3)27/h4-7,11-12,16,27H,8-9H2,1-3H3,(H,23,25,28)
InChIKeyCZCAXTGKDVNSGW-UHFFFAOYSA-N
XLogP2.47
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide?
The IUPAC name of N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide (CID 140670282) is N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide.
What is the SMILES notation for N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide?
The canonical SMILES for N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide is Cc1cc(C(C)N2Cc3c(ccnc3NC(=O)C(C)O)C2=O)cnc1OCC(F)F.
What is the InChIKey of N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide?
The InChIKey is CZCAXTGKDVNSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O4/c1-10-6-13(7-24-19(10)30-9-16(21)22)11(2)26-8-15-14(20(26)29)4-5-23-17(15)25-18(28)12(3)27/h4-7,11-12,16,27H,8-9H2,1-3H3,(H,23,25,28).
What are the key properties of N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide?
N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide has a molecular weight of 420.42 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]-2-hydroxypropanamide is sourced from PubChem (CID 140670282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).