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

C20H23F2N7O4 — CID 170606888

IUPAC5-[4-[3,3-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCN1CCOC(COC2CN(c3nccn4nc(-c5c[nH]c(=O)[nH]c5=O)cc34)CC2(F)F)C1
InChIInChI=1S/C20H23F2N7O4/c1-27-4-5-32-12(8-27)10-33-16-9-28(11-20(16,21)22)17-15-6-14(26-29(15)3-2-23-17)13-7-24-19(31)25-18(13)30/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H2,24,25,30,31)
InChIKeyXMQWPVOQKCHSDG-UHFFFAOYSA-N
MW463.45 g/mol
LogP-0.06
Rot. Bonds5

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

5-[4-[3,3-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606888) has the molecular formula C20H23F2N7O4 and a molecular weight of 463.45 g/mol. Its IUPAC name is 5-[4-[3,3-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[3,3-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606888
Molecular FormulaC20H23F2N7O4
Molecular Weight463.45 g/mol
Exact Mass463.18
IUPAC Name5-[4-[3,3-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCN1CCOC(COC2CN(c3nccn4nc(-c5c[nH]c(=O)[nH]c5=O)cc34)CC2(F)F)C1
InChIInChI=1S/C20H23F2N7O4/c1-27-4-5-32-12(8-27)10-33-16-9-28(11-20(16,21)22)17-15-6-14(26-29(15)3-2-23-17)13-7-24-19(31)25-18(13)30/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H2,24,25,30,31)
InChIKeyXMQWPVOQKCHSDG-UHFFFAOYSA-N
XLogP-0.06
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3,3-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]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-[(4-methylmorpholin-2-yl)methoxy]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606888) is 5-[4-[3,3-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]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-[(4-methylmorpholin-2-yl)methoxy]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-[(4-methylmorpholin-2-yl)methoxy]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is CN1CCOC(COC2CN(c3nccn4nc(-c5c[nH]c(=O)[nH]c5=O)cc34)CC2(F)F)C1.
What is the InChIKey of 5-[4-[3,3-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is XMQWPVOQKCHSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O4/c1-27-4-5-32-12(8-27)10-33-16-9-28(11-20(16,21)22)17-15-6-14(26-29(15)3-2-23-17)13-7-24-19(31)25-18(13)30/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H2,24,25,30,31).
What are the key properties of 5-[4-[3,3-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-[3,3-difluoro-4-[(4-methylmorpholin-2-yl)methoxy]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 -0.06, 5 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-[(4-methylmorpholin-2-yl)methoxy]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).