KBEWWRZSPXHLHF-YLJYHZDGSA-N

Name: KBEWWRZSPXHLHF-YLJYHZDGSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₆H₂₅F₄N₅O₃ — CID 142504215

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

IUPAC(2R,4R)-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1-[1-[4-(2,2,2-trifluoroacetyl)phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxamide

SMILESO=C(Nc1ccc2[nH]ncc2n1)[C@H]1C[C@@H](F)CN1C(=O)C1(c2ccc(C(=O)C(F)(F)F)cc2)CCCCC1

InChIInChI=1S/C26H25F4N5O3/c27-17-12-20(23(37)33-21-9-8-18-19(32-21)13-31-34-18)35(14-17)24(38)25(10-2-1-3-11-25)16-6-4-15(5-7-16)22(36)26(28,29)30/h4-9,13,17,20H,1-3,10-12,14H2,(H,31,34)(H,32,33,37)/t17-,20-/m1/s1

InChIKeyKBEWWRZSPXHLHF-YLJYHZDGSA-N

MW531.51 g/mol

LogP4.48

Rot. Bonds5

About KBEWWRZSPXHLHF-YLJYHZDGSA-N

KBEWWRZSPXHLHF-YLJYHZDGSA-N (PubChem CID 142504215) has the molecular formula C₂₆H₂₅F₄N₅O₃ and a molecular weight of 531.51 g/mol. Its IUPAC name is (2R,4R)-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1-[1-[4-(2,2,2-trifluoroacetyl)phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	KBEWWRZSPXHLHF-YLJYHZDGSA-N
PubChem CID	142504215
Molecular Formula	C₂₆H₂₅F₄N₅O₃
Molecular Weight	531.51 g/mol
Exact Mass	531.19
IUPAC Name	(2R,4R)-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1-[1-[4-(2,2,2-trifluoroacetyl)phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxamide
SMILES	O=C(Nc1ccc2[nH]ncc2n1)[C@H]1C[C@@H](F)CN1C(=O)C1(c2ccc(C(=O)C(F)(F)F)cc2)CCCCC1
InChI	InChI=1S/C26H25F4N5O3/c27-17-12-20(23(37)33-21-9-8-18-19(32-21)13-31-34-18)35(14-17)24(38)25(10-2-1-3-11-25)16-6-4-15(5-7-16)22(36)26(28,29)30/h4-9,13,17,20H,1-3,10-12,14H2,(H,31,34)(H,32,33,37)/t17-,20-/m1/s1
InChIKey	KBEWWRZSPXHLHF-YLJYHZDGSA-N
XLogP	4.48
TPSA	108.05 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.51
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of KBEWWRZSPXHLHF-YLJYHZDGSA-N?

The IUPAC name of KBEWWRZSPXHLHF-YLJYHZDGSA-N (CID 142504215) is (2R,4R)-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)-1-[1-[4-(2,2,2-trifluoroacetyl)phenyl]cyclohexanecarbonyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for KBEWWRZSPXHLHF-YLJYHZDGSA-N?

The canonical SMILES for KBEWWRZSPXHLHF-YLJYHZDGSA-N is O=C(Nc1ccc2[nH]ncc2n1)[C@H]1C[C@@H](F)CN1C(=O)C1(c2ccc(C(=O)C(F)(F)F)cc2)CCCCC1.

What is the InChIKey of KBEWWRZSPXHLHF-YLJYHZDGSA-N?

The InChIKey is KBEWWRZSPXHLHF-YLJYHZDGSA-N. The full InChI is InChI=1S/C26H25F4N5O3/c27-17-12-20(23(37)33-21-9-8-18-19(32-21)13-31-34-18)35(14-17)24(38)25(10-2-1-3-11-25)16-6-4-15(5-7-16)22(36)26(28,29)30/h4-9,13,17,20H,1-3,10-12,14H2,(H,31,34)(H,32,33,37)/t17-,20-/m1/s1.

What are the key properties of KBEWWRZSPXHLHF-YLJYHZDGSA-N?

KBEWWRZSPXHLHF-YLJYHZDGSA-N has a molecular weight of 531.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for KBEWWRZSPXHLHF-YLJYHZDGSA-N is sourced from PubChem (CID 142504215), 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 142504215 — identifiers, structure, computed properties (public domain)

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