LPBPZOFLORARPR-ZWKOTPCHSA-N

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

C₂₅H₂₅ClN₆O — CID 118033991

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

IUPAC4-amino-N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide

SMILESNc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1

InChIInChI=1S/C25H25ClN6O/c26-21-14-29-25(32-23(21)20-13-28-22-7-2-1-6-19(20)22)31-18-5-3-4-17(12-18)30-24(33)15-8-10-16(27)11-9-15/h1-2,6-11,13-14,17-18,28H,3-5,12,27H2,(H,30,33)(H,29,31,32)/t17-,18+/m0/s1

InChIKeyLPBPZOFLORARPR-ZWKOTPCHSA-N

MW460.97 g/mol

LogP5.01

Rot. Bonds5

About LPBPZOFLORARPR-ZWKOTPCHSA-N

LPBPZOFLORARPR-ZWKOTPCHSA-N (PubChem CID 118033991) has the molecular formula C₂₅H₂₅ClN₆O and a molecular weight of 460.97 g/mol. Its IUPAC name is 4-amino-N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name	LPBPZOFLORARPR-ZWKOTPCHSA-N
PubChem CID	118033991
Molecular Formula	C₂₅H₂₅ClN₆O
Molecular Weight	460.97 g/mol
Exact Mass	460.18
IUPAC Name	4-amino-N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide
SMILES	Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1
InChI	InChI=1S/C25H25ClN6O/c26-21-14-29-25(32-23(21)20-13-28-22-7-2-1-6-19(20)22)31-18-5-3-4-17(12-18)30-24(33)15-8-10-16(27)11-9-15/h1-2,6-11,13-14,17-18,28H,3-5,12,27H2,(H,30,33)(H,29,31,32)/t17-,18+/m0/s1
InChIKey	LPBPZOFLORARPR-ZWKOTPCHSA-N
XLogP	5.01
TPSA	108.72 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.97
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of LPBPZOFLORARPR-ZWKOTPCHSA-N?

The IUPAC name of LPBPZOFLORARPR-ZWKOTPCHSA-N (CID 118033991) is 4-amino-N-[(1S,3R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]benzamide.

What is the SMILES notation for LPBPZOFLORARPR-ZWKOTPCHSA-N?

The canonical SMILES for LPBPZOFLORARPR-ZWKOTPCHSA-N is Nc1ccc(C(=O)N[C@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1.

What is the InChIKey of LPBPZOFLORARPR-ZWKOTPCHSA-N?

The InChIKey is LPBPZOFLORARPR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C25H25ClN6O/c26-21-14-29-25(32-23(21)20-13-28-22-7-2-1-6-19(20)22)31-18-5-3-4-17(12-18)30-24(33)15-8-10-16(27)11-9-15/h1-2,6-11,13-14,17-18,28H,3-5,12,27H2,(H,30,33)(H,29,31,32)/t17-,18+/m0/s1.

What are the key properties of LPBPZOFLORARPR-ZWKOTPCHSA-N?

LPBPZOFLORARPR-ZWKOTPCHSA-N has a molecular weight of 460.97 g/mol, XLogP of 5.01, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for LPBPZOFLORARPR-ZWKOTPCHSA-N is sourced from PubChem (CID 118033991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118033991 — identifiers, structure, computed properties (public domain)

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