(1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one

C26H25F2N5O4 — CID 122617114

IUPAC(1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
SMILESO=c1c2ccc(-c3cnc(N4CCO[C@@H](CO)C4)nc3)cc2n2n1CC[C@H]2c1ccccc1OC(F)F
InChIInChI=1S/C26H25F2N5O4/c27-25(28)37-23-4-2-1-3-19(23)21-7-8-32-24(35)20-6-5-16(11-22(20)33(21)32)17-12-29-26(30-13-17)31-9-10-36-18(14-31)15-34/h1-6,11-13,18,21,25,34H,7-10,14-15H2/t18-,21+/m1/s1
InChIKeySTRSWQBKGVGOTP-NQIIRXRSSA-N
MW509.51 g/mol
LogP3.05
Rot. Bonds6

About (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one

(1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (PubChem CID 122617114) has the molecular formula C26H25F2N5O4 and a molecular weight of 509.51 g/mol. Its IUPAC name is (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.

Molecular Properties

Compound Name(1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
PubChem CID122617114
Molecular FormulaC26H25F2N5O4
Molecular Weight509.51 g/mol
Exact Mass509.19
IUPAC Name(1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one
SMILESO=c1c2ccc(-c3cnc(N4CCO[C@@H](CO)C4)nc3)cc2n2n1CC[C@H]2c1ccccc1OC(F)F
InChIInChI=1S/C26H25F2N5O4/c27-25(28)37-23-4-2-1-3-19(23)21-7-8-32-24(35)20-6-5-16(11-22(20)33(21)32)17-12-29-26(30-13-17)31-9-10-36-18(14-31)15-34/h1-6,11-13,18,21,25,34H,7-10,14-15H2/t18-,21+/m1/s1
InChIKeySTRSWQBKGVGOTP-NQIIRXRSSA-N
XLogP3.05
TPSA94.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?
The IUPAC name of (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one (CID 122617114) is (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one.
What is the SMILES notation for (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?
The canonical SMILES for (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one is O=c1c2ccc(-c3cnc(N4CCO[C@@H](CO)C4)nc3)cc2n2n1CC[C@H]2c1ccccc1OC(F)F.
What is the InChIKey of (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?
The InChIKey is STRSWQBKGVGOTP-NQIIRXRSSA-N. The full InChI is InChI=1S/C26H25F2N5O4/c27-25(28)37-23-4-2-1-3-19(23)21-7-8-32-24(35)20-6-5-16(11-22(20)33(21)32)17-12-29-26(30-13-17)31-9-10-36-18(14-31)15-34/h1-6,11-13,18,21,25,34H,7-10,14-15H2/t18-,21+/m1/s1.
What are the key properties of (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one?
(1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one has a molecular weight of 509.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(difluoromethoxy)phenyl]-8-[2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]pyrimidin-5-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one is sourced from PubChem (CID 122617114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).