5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione

C20H23F2N7O4 — CID 170606731

IUPAC5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc3c(N4CC(OCCN5CCOCC5)C(F)(F)C4)nccn3n2)c(=O)[nH]1
InChIInChI=1S/C20H23F2N7O4/c21-20(22)12-28(11-16(20)33-8-5-27-3-6-32-7-4-27)17-15-9-14(26-29(15)2-1-23-17)13-10-24-19(31)25-18(13)30/h1-2,9-10,16H,3-8,11-12H2,(H2,24,25,30,31)
InChIKeyMDHQIZWAJMVOJB-UHFFFAOYSA-N
MW463.45 g/mol
LogP-0.05
Rot. Bonds6

About 5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione

5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606731) has the molecular formula C20H23F2N7O4 and a molecular weight of 463.45 g/mol. Its IUPAC name is 5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606731
Molecular FormulaC20H23F2N7O4
Molecular Weight463.45 g/mol
Exact Mass463.18
IUPAC Name5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc3c(N4CC(OCCN5CCOCC5)C(F)(F)C4)nccn3n2)c(=O)[nH]1
InChIInChI=1S/C20H23F2N7O4/c21-20(22)12-28(11-16(20)33-8-5-27-3-6-32-7-4-27)17-15-9-14(26-29(15)2-1-23-17)13-10-24-19(31)25-18(13)30/h1-2,9-10,16H,3-8,11-12H2,(H2,24,25,30,31)
InChIKeyMDHQIZWAJMVOJB-UHFFFAOYSA-N
XLogP-0.05
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

US20250340565, Example 10.1
CID 170606701
US20250340565, Example 25.9
CID 170606721
US20250340565, Example 25.1
CID 170606733
US20250340565, Example 25.2
CID 170606786
US20250340565, Example 17
CID 170606790
US20250340565, Example 25
CID 170606821
US20250340565, Example 25.6
CID 170606888
US20250340565, Example 25.8
CID 170606893
US20250340565, Example 25.3
CID 170606905
US20250340565, Example 26.6
CID 170606959
US20250340565, Example 25.5
CID 170606960
US20240043427, Example 187
CID 171368441

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606731) is 5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc3c(N4CC(OCCN5CCOCC5)C(F)(F)C4)nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is MDHQIZWAJMVOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O4/c21-20(22)12-28(11-16(20)33-8-5-27-3-6-32-7-4-27)17-15-9-14(26-29(15)2-1-23-17)13-10-24-19(31)25-18(13)30/h1-2,9-10,16H,3-8,11-12H2,(H2,24,25,30,31).
What are the key properties of 5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 463.45 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3,3-difluoro-4-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).