BTCDBIASFXDZKS-LADGPHEKSA-N

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

C₂₆H₃₀FN₅O₂ — CID 71015519

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

IUPAC1-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea

SMILESCOCCN1C[C@@H](NC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)[C@H](c2cccc(F)c2)C1

InChIInChI=1S/C26H30FN5O2/c1-34-14-13-31-16-22(18-7-5-8-19(27)15-18)24(17-31)28-26(33)29-25-21-11-6-12-23(21)30-32(25)20-9-3-2-4-10-20/h2-5,7-10,15,22,24H,6,11-14,16-17H2,1H3,(H2,28,29,33)/t22-,24+/m0/s1

InChIKeyBTCDBIASFXDZKS-LADGPHEKSA-N

MW463.56 g/mol

LogP3.74

Rot. Bonds7

About BTCDBIASFXDZKS-LADGPHEKSA-N

BTCDBIASFXDZKS-LADGPHEKSA-N (PubChem CID 71015519) has the molecular formula C₂₆H₃₀FN₅O₂ and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea.

Molecular Properties

Compound Name	BTCDBIASFXDZKS-LADGPHEKSA-N
PubChem CID	71015519
Molecular Formula	C₂₆H₃₀FN₅O₂
Molecular Weight	463.56 g/mol
Exact Mass	463.24
IUPAC Name	1-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea
SMILES	COCCN1C[C@@H](NC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)[C@H](c2cccc(F)c2)C1
InChI	InChI=1S/C26H30FN5O2/c1-34-14-13-31-16-22(18-7-5-8-19(27)15-18)24(17-31)28-26(33)29-25-21-11-6-12-23(21)30-32(25)20-9-3-2-4-10-20/h2-5,7-10,15,22,24H,6,11-14,16-17H2,1H3,(H2,28,29,33)/t22-,24+/m0/s1
InChIKey	BTCDBIASFXDZKS-LADGPHEKSA-N
XLogP	3.74
TPSA	71.42 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of BTCDBIASFXDZKS-LADGPHEKSA-N?

The IUPAC name of BTCDBIASFXDZKS-LADGPHEKSA-N (CID 71015519) is 1-[(3S,4R)-4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea.

What is the SMILES notation for BTCDBIASFXDZKS-LADGPHEKSA-N?

The canonical SMILES for BTCDBIASFXDZKS-LADGPHEKSA-N is COCCN1C[C@@H](NC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)[C@H](c2cccc(F)c2)C1.

What is the InChIKey of BTCDBIASFXDZKS-LADGPHEKSA-N?

The InChIKey is BTCDBIASFXDZKS-LADGPHEKSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-34-14-13-31-16-22(18-7-5-8-19(27)15-18)24(17-31)28-26(33)29-25-21-11-6-12-23(21)30-32(25)20-9-3-2-4-10-20/h2-5,7-10,15,22,24H,6,11-14,16-17H2,1H3,(H2,28,29,33)/t22-,24+/m0/s1.

What are the key properties of BTCDBIASFXDZKS-LADGPHEKSA-N?

BTCDBIASFXDZKS-LADGPHEKSA-N has a molecular weight of 463.56 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for BTCDBIASFXDZKS-LADGPHEKSA-N is sourced from PubChem (CID 71015519), 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 71015519 — 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.