LTIUSQFSZUVGNZ-IRXDYDNUSA-M

Name: LTIUSQFSZUVGNZ-IRXDYDNUSA-M — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₁₉ClF₂N₇O₅- — CID 154317308

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3S,4S)-4-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]-3-hydroxypiperidine-1-carboxylate

SMILESO=C(Nc1cn([C@H]2CCN(C(=O)[O-])C[C@@H]2O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12

InChIInChI=1S/C23H20ClF2N7O5/c24-12-2-3-18(38-22(25)26)13(8-12)19-15(29-21(35)14-9-28-32-6-1-5-27-20(14)32)10-33(30-19)16-4-7-31(23(36)37)11-17(16)34/h1-3,5-6,8-10,16-17,22,34H,4,7,11H2,(H,29,35)(H,36,37)/p-1/t16-,17-/m0/s1

InChIKeyLTIUSQFSZUVGNZ-IRXDYDNUSA-M

MW546.90 g/mol

LogP2.05

Rot. Bonds6

About LTIUSQFSZUVGNZ-IRXDYDNUSA-M

LTIUSQFSZUVGNZ-IRXDYDNUSA-M (PubChem CID 154317308) has the molecular formula C₂₃H₁₉ClF₂N₇O₅- and a molecular weight of 546.90 g/mol. Its IUPAC name is (3S,4S)-4-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name	LTIUSQFSZUVGNZ-IRXDYDNUSA-M
PubChem CID	154317308
Molecular Formula	C₂₃H₁₉ClF₂N₇O₅-
Molecular Weight	546.90 g/mol
Exact Mass	546.11
IUPAC Name	(3S,4S)-4-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]-3-hydroxypiperidine-1-carboxylate
SMILES	O=C(Nc1cn([C@H]2CCN(C(=O)[O-])C[C@@H]2O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12
InChI	InChI=1S/C23H20ClF2N7O5/c24-12-2-3-18(38-22(25)26)13(8-12)19-15(29-21(35)14-9-28-32-6-1-5-27-20(14)32)10-33(30-19)16-4-7-31(23(36)37)11-17(16)34/h1-3,5-6,8-10,16-17,22,34H,4,7,11H2,(H,29,35)(H,36,37)/p-1/t16-,17-/m0/s1
InChIKey	LTIUSQFSZUVGNZ-IRXDYDNUSA-M
XLogP	2.05
TPSA	149.94 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	6
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.90
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of LTIUSQFSZUVGNZ-IRXDYDNUSA-M?

The IUPAC name of LTIUSQFSZUVGNZ-IRXDYDNUSA-M (CID 154317308) is (3S,4S)-4-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]-3-hydroxypiperidine-1-carboxylate.

What is the SMILES notation for LTIUSQFSZUVGNZ-IRXDYDNUSA-M?

The canonical SMILES for LTIUSQFSZUVGNZ-IRXDYDNUSA-M is O=C(Nc1cn([C@H]2CCN(C(=O)[O-])C[C@@H]2O)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12.

What is the InChIKey of LTIUSQFSZUVGNZ-IRXDYDNUSA-M?

The InChIKey is LTIUSQFSZUVGNZ-IRXDYDNUSA-M. The full InChI is InChI=1S/C23H20ClF2N7O5/c24-12-2-3-18(38-22(25)26)13(8-12)19-15(29-21(35)14-9-28-32-6-1-5-27-20(14)32)10-33(30-19)16-4-7-31(23(36)37)11-17(16)34/h1-3,5-6,8-10,16-17,22,34H,4,7,11H2,(H,29,35)(H,36,37)/p-1/t16-,17-/m0/s1.

What are the key properties of LTIUSQFSZUVGNZ-IRXDYDNUSA-M?

LTIUSQFSZUVGNZ-IRXDYDNUSA-M has a molecular weight of 546.90 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for LTIUSQFSZUVGNZ-IRXDYDNUSA-M is sourced from PubChem (CID 154317308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 154317308 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.